spectra for the identification of additives in food packaging
TRANSCRIPT
European Commission Directorate-General for Science, Research and Development
Standards Measurement and Testing Programme
Spectra for the Identification of Additives in Food Packaging
Ben van Lierop Food Inspection Service, Utrecht, The Netherlands
Laurence Castle Ministry of Agriculture, Fisheries and Food,
CSL Food Science Laboratory, Norwich, United Kingdom
Institut Alexandre Feigenbaum
lational de la Recherche Agronomique, Reims, France
and
Achim Boenke European Commission, SMT Programme, DG XIUC.5, Brussels, Belgium
KLUWER ACADEMIC PUBLISHERS DORDRECHT / BOSTON / LONDON
A C.I.P. Catalogue record for this book is available from the Library of Congress.
ISBN 0-7923-4986-5
Published for the European Commission
Directorate-General Science, Research and Development.
EUR 18027 EN 01998 ECSC, EEC, EAEC, Brussels and Luxembourg
LEGAL NOTICE Neither the European Commission nor any person acting on behalf of the
Commission is responsible for the use which might be made of the following information.
Coverdesign by Mere1 van Lierop
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Printed in the Netherlands
V
CONTENTS
Substance CAS No.
Acids, fatty (C14-C18), alkyl (C14-Cl8) ester
2-hydroxy-5-methylbenzyl)-4-methylphenyl ester
85566-24-1 Acrylic acid, 2-tert-butyl-6-(3-tert-butyl- 61167-58-6
Adipic acid, bis(2-ethylhexyl) ester 00 103 -23- 1 Adipic acid, dibutyl ester 00105-99-7 Alkyl (C10-C13)benzenesulphonic acid, sodium salt Alkyl (C10-C20)sulphonic acid, esters with phenols Azelaic acid, bis(2-ethylhexyl) ester Azelaic acid, bis(6-methylheptyl) ester 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene N,N’-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionyl) hydrazide Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite Bis(4-ethylbenzylidene) sorbitol N, N-Bis(2-hydroxyethyl)alkyl(C8-C 18)amine N, N’-Bis(2-hydroxyethyl)lauramide 2,4-Bis(octylmercapto)-6-(4-hydroxy- 3,5-di-tert-butyl-anilino)-l,3,5-triazine 2,4-Bis(octylthiomethyl)-6-methylphenol Bisphenol A tert-Butyl-4-hydroxy anisole Citric acid, triethyl ester Dibenzothiazyl disulphide 2,6-Di-tert-butyl-p-cresol 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt 2,4-Dihydroxybenzophenone 4,4 ’-Dihydroxybenzophenone Di-n-octyltin bis(Zethylhexy1 mercaptoacetate) Di-n-octyltin bis(isoocty1 mercaptoacetate) N,N’-Diphenylthiourea Dodecylbenzenesulphonic acid Erucamide 2-Ethoxy-2’ -ethyloxanilide Ethylbenzene N,N’-Ethylenebisstearamide
00103-24-2 00106-03-6 07128-64-5 32687-78-8
2674 1-53-7
79072-96- 1 71786-60-2 00 120-40- 1 0099 1-84-4
110553-27-0 00080-05-7 250 13- 16-5 00077-93-0 00120-78-5 00128-37-0 65140-91-2
0013 1-56-6 006 1 1-99-4 15571-58-1 26401 -97-8 00102-08-9 27176-87-0 001 12-84-5 23949-66-8 00100-4 1-4 001 10-30-5
- PM Page No. Ref. No.
31304 31520
31920 32240 33800 34240 36320 36400 38560 38800
38820
38950 39090 39280 40000
40020 40060 40720 44640 46400 46640 46880
48640 48720 50320 50480 51680 52000 52720 53200 53255 53520
9 17
22 27 32 39 44 49 54 59
64
69 74 79 85
90 95
100 105 110 116 121
126 131 136 142 148 156 160 165 170 175
IntroductionGC Retention Times
vi
Substance
Ethyleneglycol bis(3,3-bis(3-tert-butyl- 4-hydroxypheny1)butyrate) 2-Ethylhexanoic acid Gallic acid, propyl ester Glycerol monooleate Glycerol monostearate Glycerol triacetate 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl- 4-hydroxypheny1)propionamide) 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl- 4-hydroxypheny1)propionate) 4-Hydroxybenzoic acid, methyl ester 2-(2-Hydroxy-3,5-bis( 1,l-dimethylbenzy1)phenyl) benzotriazole 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)- 5-chlorobenzotriazole 1 -(2-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid, dimethyl ester, copolymer 2-Hydroxy-4-methox ybenzophenone 2-(2-Hydroxy-5-methylphenyl)benzotriazole 2-Hydroxy-4-n-octyloxybenzophenone 2,2’-Methylenebis(4-ethy1-6-tert-butylphenol)
2,2’-Methylenebis(4-methy1-6-cyclohexylphenol) Monochlorobenzene Mono-n-octyltin tris(Zethylhexy1 mercaptoacetate) Mono-n-octyltin tris(isoocty1 mercaptoacetate) 1 -0ctadecanol Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate Oleamide Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated) Pentaerytritol tetrakis(3-(3,5-di-tert-butyl- 4-hy droxy -pheny l)propionate) 2-Phenylindole Phosphoric acid, diphenyl2-ethylhexyl ester Phosphoric acid, tributoxyethyl ester Phosphoric acid, tributyl ester
, 2,2’-Methylenebis(4-methyl-6-tert-butylphenol)
CAS No.
32509-66-3
00149-57-5 00121-79-9 25496-72-4 3 1566-3 1-1 00102-76-1 23 128-74-7
35074-77-2
00099-76-3 7032 1-86-7
03896-1 1-5
70 198-29-71 65447-77-0 00 13 1-57-7 02440-22-4 01843-05-6 00088-24-4 00 1 19-47- 1 04066-02-8 00108-90-7 27 107-89-7 2640 1-86-5 001 12-92-5 02082-79-3
00301-02-0 63231-60-71 08002-74-2 06683-19-8
00948-65-2 0 124 1-94-7 00078-5 1-3 00 126-73-8
- PM Page No. Ref. No.
53670
54120 55360 56960 57520 57760 59120
59200
60200 60320
60400
60800
61360 61440 6 1600 66400 66480 66560 67280 67680 67760 68225 68320
68960 71281
71680
72 160 72800 73600 73680
180
185 190 195 200 205 210
215
220 225
230
23 5
23 9 244 249 254 259 264 269 136 142 274 279
284 289
294
298 303 308 313
Substance
Phosphoric acid, triisobutyl ester Phosphoric acid, triphenyl ester Phosphoric acid, tris(Zethylhexy1) ester Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester Phosphorous acid, tri(nony1-and/or dinonylphenyl) ester Phthalic acid, benzyl butyl ester Phthalic acid, bis(2-ethylhexyl) ester Phthalic acid, dibutyl ester Phthalic acid, dicyclohexyl ester Phthalic acid, diethyl ester Phthalic acid, diisobutyl ester Phthalic acid, diisodecyl ester Phthalic acid, diisononyl ester Phthalic acid, diisooctyl ester Phthalic acid, dimethyl ester Polydimethylsiloxane
Polyethyleneglycol ether of tallow fatty alcohol Poly(ethy1ene propy1ene)glycol Polyolefins Poly[6-[( 1,1,3,3-tetramethylbutyl)amino]- 1,3,5-triazine-2,4-diyl]-[(2,2,6,6-tertramethyl-
CAS No.
00126-71-6 00115-86-6 00078-72-2 3 1570-04-4
26523-78-41 01333-21-7 00085-68-7 001 17-81-7 00084-74-2 00084-6 1-7 00084-66-2 00084-69-5 26761-40-0 28533- 12-0 27554-26-3 00131-11-3 09016-00-61 61348-62-9 6 1791-28-4 09003-1 1-6 68037-12-7 7 1878- 19-8
4-piperidy1)iminol hexamethylene[ (2,2,6, 6-tetramethyl- 4-piperidyl)imono] Sebacic acid, bis(2-ethylhexyl) ester 00122-62-3 Sebacic acid, dibutyl ester 00109-43-3 Sorbitan monolaurate 01338-39-2 Sorbitan monooleate 01338-43-8 Sorbitan monostearate 01338-41-6 Stearamide 00124-26-5 Stearic acid, butyl ester 00123-95-5 Stearic acid, esters with pentaerytritol 08045-34-9 Stearoy lbenzoylmethane 58446-52-9 Sulphosuccinic acid, bis(Zethylhexy1) ester, 00577- 1 1-7 sodium salt
biphenylylene diphosphonite Tetrakis(2,4-di-tert-butylphenyl)-4,4’- 38613-77-3
vii
- PM Page No. Ref. No.
73840 73920 74000 74240
74400
74560 74640 74880 74960 75120 75280 75360 75440 75520 75600 76720
77760 79930 80550 8 1200
85120 85360 87600 87680 87840 88960 89120 89520 90720 91572
92560
318 323 328 333
340
346 35 1 356 361 366 37 1 376 381 386 39 1 396
40 1 406 41 1 416
42 1 426 43 1 436 44 1 446 45 1 456 460 465
470
... Vl l l
Substance
4,4’-Thiobis(6-tert-butyl-3-methylphenol) Thiodiethanol bis(3-(3,5-di-tert-butyl- 4-hydroxyphenyl) propionate) Thiodipropionic acid, didodecyl ester Thiodipropionic acid, ditetradecyl ester Triethyl acetylcitrate Triethyleneglycol bis(3-(3-tert-butyl- 4-hydroxy-5-methylphenyl) propionate) 1 , 1 , l-Trimethylolpropane 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4- hydroxybenzy1)benzene 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)- 1,3,5-triazine-2,4,6( 1 H ,3H, 5H)-trione
Contents in CAS number order Polymer abbreviations
CAS No.
00096-69-5 41484-35-9
00123-28-4 16545-54-3 00077-89-4 36443-68-2
00077-99-6 01709-70-2
27676-62-6
- PM Page No. Ref. No.
92800 92880
93120 93360 94240 94400
94960 95200
95360
475 480
485 490 495 500
505 510
515
520 524
CHAPTER 1
Introduction
This new book on additives used in plastics for food contact, can be seen as a companion to the 1993 publication Spectra for the Identiflcation of Monomers in Food Packaging [ 1, 21. That earlier book presented information on monomeric substances listed in Directive 90/128/EEC [3], which restricts the range of monomers and other starting substances that can be used for the production of plastics materials and articles intended for food contact applications.
As a logical supplement to the collection of monomers and other starting substances, the preparation of a reference collection and a Handbook of analytical data of additives was undertaken with funding from The European Commission under the Standards Measurements and Testing programme. We then give a collection of spectra for the identification of 100 of the most important additives used in plastics packaging and coatings. Infra-red (FT-IR) and mass spectra (MS) are presented, as in the monomers book, but we have extended the scope to include proton nuclear magnetic resonance ('H-NMR) spectra and gas-chromatographic (GC) data.
Legal Framework
The Commission of the European Communities provides in Synoptic Document N. 7 [4] a provisional list of additives used for the production of food contact plastics. This Synoptic Document anticipates a Directive on additives for food contact plastics. One hundred of the most important additives were selected from this provisional list after extensive consultation with researchers in the field and with representatives from European industry (Food Contact Additives Panel (FCA) sector group of the European Chemical Industry Council (CEFIC).
Although the additives are listed in [4], it is still yet undecided exactly how control on their use would be best exercised. The two most likely forms of control are a restriction on the migration of the specific substances to food or food simulants (SMLs, specific migration limits) or controls on the composition of the plastic (QMs, maximum quantity of the substance in the material). Several studies have been carried out to inform this debate, to relate the maximum level of residual substance in the finished plastic (QM limit) with the amount of substance migrating to foods or food simulants under defined conditions (SML limit). Most recently, in the EU project AIR-941025 Safety and Quality Control of Plastic Materials for Food Contact [5] coordinated by one of us (Alexandre Feigenbaum, Institut National de la Recherche Agronomique), the substances in the polymer are first identified with the aid of a reference collection of additives. In subsequent parts of the project, a mathematical model was developed to relate SM values to QM values. It will be necessary to validate the migration model by generating the necessary experimental data.
1
2
These developments notwithstanding, in fact whichever form of control, SML or QM, is finally adopted for additives, the first step in any investigation must be to identify the substances that may migrate and therefore need to be quantified. This book delivers data for this identification.
Implementation of legislation
Although the principles intended to govern the control of materials and articles are clear from the relevant Directives, the practical problems of implementation and the development of an approach that should be adopted by enforcement authorities in real situations, have not yet been addressed. The most systematic approach to control has been elaborated in the Netherlands to meet Dutch Regulations [6-91 in existence before Directive 90/128/EEC. The approach used has been to initially identify polymeric materials by infra-red spectra and then to identify the substances in solvent extracts by gas-chromatography - mass spectrometry (GC-MS) and by liquid chromatography (LC). Practical application of this approach over more than ten years has shown that considerable experience is required in knowing what type of polymer is used in what food contact situation, as well as the likely additives and other constituents that might be present. The Dutch test method has been discussed in the CEN working group WG2 of Technical Committee TC 194 and a CEN standard is in preparation [lo]. The Dutch method is applied in its original or slightly modified form in e.g. government laboratories in Denmark, Greece, Norway, Sweden and Switzerland and in industrial test labs (especially by converters). Spectroscopic and chromatographic information as well as access to authentic reference substances are essential to carry out this work.
This Handbook will be of practical assistance to enforcement laboratories in the European Union and to industry laboratories needing to demonstrate compliance. Also, to Universities and other research establishments who undertake more fundamental research into migration from plastics. If the models for predicting migration will be generally applied then identification of additives is essential. In addition to the spectroscopic and other information contained in this Handbook, there exists a physical collection of these reference substances of known provenance and from which the spectra were obtained. Reasonable requests for these reference substances themselves will be met on application to the address below. These substances will be supplied neat or as a reference solution where appropriate from:
Plastics Reference Collection of Additives Food Inspection Service Utrecht Specialisatie Verpakkingen Nijenoord 6, 3552 AS Utrecht Postbox 10123, 3505 AB Utrecht The Netherlands tel +31-30-2461-611
E-mail [email protected] and/or [email protected] fax +31-30-2422-566
3
Scope of the Handbook
EC Directive 90/128/EEC controls the safety of plastics food packaging materials by limiting through a positive list the substances permitted to be used as monomers and other starting substances for the production of plastics. After monomers the European Commission will regulate plastics additives. The additives used in plastics intended for food contact are listed in Commission working documents (‘Synoptic Documents’). This project was started on the basis of Synoptic Document N. 5 and for the final selection of additives the Synoptic Document N. 7 [4] was used.
The basis for selection of the one hundred most important additives were the usage, the level of the tolerable daily intake figure (which indicates if any control e.g. by QM or SML is needed) and, finally, the intrinsic likelihood of migration.
Entries for each substance provide the structural formula, the CAS number and the PM reference number, which is the number by which substances are indexed by the Commission services e.g. in Directives and Synoptic Documents. Alternative names whether systematic IUPAC nomenclature or trivial names, are given as a further aid to identification.
Physical characteristics such as solubility in common organic solvents are described although these are indicative only and not definitive nor exhaustive. These have been taken from datasheets from the suppliers of each substance. Stability of the additive under test is important and the user of this handbook is recommended to check for stability before conducting quantitative extraction or migration tests. Information on the stability of each additive can only be obtained by extensive investigation. The stability of additives in food simulants has been investigated in EU project AIR3-CT94-2360 Stability of Plastic Additives in Food Simulants and this is a useful reference source [ 111,
Some indications for handling are included, but safety requirements for the handling of chemicals vary from country to country. Therefore the safety precautions are given in very general terms and are not intended to have any legal status.
Information on current use of the additives is given. This information was obtained after consultation with industry (FCA, sector group of CEFIC). Also the personal experience of the participants was taken into account.
The retention times of the additives which could be analysed by GC under the conditions described in Chapter 11, are given in minutes. GC was performed using the normal hydrocarbons CI2, C, and C24 as retention time markers. This allows the calculation of retention indices which will facilitate the identification of additives. This calculation can be carried out by relating the measured retention time of the reference substances to the retention times of the hydrocarbons CI2, C20 and CH. A possible formula is given by Guiochon and Guillemin [12]. All the additives were analysed under the same gas chromatographic conditions.
4
The Fourier transform infra-red spectra were recorded in two laboratories as a check of the data. Comparison with literature spectra could seldom be carried out because these were not usually available. The FT-IR spectra can be used either to identify the substance as such, or to identify additives in subtracted spectra. The spectra can be added to existing data bases.
Mass spectra are similarly meant to complement existing data bases. Mass spectra are very suitable to identify additives in solvent extracts of food contact polymers. For substances that can be analysed by GC the mass spectra were measured on two GC-MS systems to generate classical electron-impact spectra. However many additives cannot be analysed by GC for reasons of e.g. low volatility or thermal instability. For these substances the rapidly developing technique of LC-MS is suitable. A limitation of current LC-MS instrumentation is that most ionisation interfaces do not give consistent and library-searchable spectra. One exception to this is the particle-beam interface which gives classical electron-impact spectra. So for additives that could not be analysed by GC, then direct source injection or flow-injection particle beam MS analysis was applied. These spectra were recorded twice in the same laboratory (separated by several weeks) to check for consistency.
Proton magnetic resonance ('H-NMR) spectra displayed in this Handbook were recorded in two different laboratories as a double check. The spectra can be used to identify additives either pure, or as constituents of polymer extracts [5]. In the research project AIR-9411025 [5], it has been shown that 'H-NMR is a powerful tool for the quality control of most food packaging plastics, specially in an industrial framework. The materials are extracted by a suitable solvent. After evaporation to dryness, the 'H-NMR spectrum of the extract is recorded. This spectrum can be used as a fingerprint of the material. Using the data base of this Handbook and relying on experience for interpretation it is possible to decide very quickly about the presence or the absence of an additive in the material. 'H-NMR requires quite expensive equipment, but the essential information can often be obtained in a very short time from the spectra [13-151. This approach therefore efficiently complements methods previously developed.
It should be noted that the substances supplied by industry were representative of current usage and were of good technical quality but were not necessarily fine chemicals of analytical purity (e.g. >99.5%). They could contain therefore the normal and inevitable minor feedstock and reaction impurities and especially (where applicable) isomeric 'impurities'. For FT-IR, 'H-NMR and flow-injection MS analysis, these impurities will be included in the spectra and may or may not be discernible. In contrast, for GC-MS analysis where acquisition of a spectrum is preceded by some chromatographic separation, these impurities will have been removed to a greater or lesser extent from the resulting spectrum. This is also true for sample introduction into the MS by direct probe where preferential evaporation from the heated probe can occur. The user of this handbook should bear this in mind, the nature of spectra acquisition, when comparing these reference spectra to any spectrum generated in hidher own investigations.
5
Acknowledgments
Special thanks go to Karl Ehlert from FISU, who undertook the large task of preparing the camera-ready datasheets. We are very grateful to our colleagues who provided the analytical data. 'H-NMR spectra were provided by prof James Bouquant (UniversitC de Reims) and Denise Scholler (INRA) and by Chris Honeybone and Katrina Mountfort (MAFF). Special thanks to prof Bouquant for interpretation of the 'H-NMR spectra and his scientific contribution to the project. The infra-red spectra were provided by Marjan van der Beek (FISU) and Janine Le Sech (INRA). The mass spectra were provided by Teuni Volp (FISU) and by Phil Clarke, Simon Hird and Andy Damant (MAFF). The gas-chromatographic retention times were measured by Karl Ehlert (FISU) .
The success in producing this Handbook has also been due to assistance in supplying samples and to the information made freely available by European industrial and Government sources too numerous to mention. We are specially grateful to R. Ashby (ICI), J. Autin (CEFIC-FCA), J. Gonzalez (CICC), K. Hinrichs (Henkel), S.E.P.G. Merckx (General Electric), U. Schonhausen (Ciba Geigy) and H. Vergallen (Premark Resources).
References
Bush, J., Gilbert, J. and Goenaga, X. Spectra for the identification of monomers in food packaging. Kluwer Academic Publishers, Dordrecht, The Netherlands, 1993. Gilbert, J., Bush, J., Lopez de Sa, A,, Lierop, J.B.H. van and Goenaga, X. Establishment of a reference collection of substances and an analytical handbook of reference data to support enforcement of EC regulations on food contact materials. Food Additives and Contaminants, 1994, 11, 71-74. Commission Directive 90/128/EEC of 23 February 1990 relating to plastics materials and articles intended to come into contact with foodstuffs. WciaZ Journal of the European Communities L349, 26-47. Synoptic document N. 7. Draft of provisional list of monomers and additives used in the manufacture of plastics and coatings intended to come into contact with foodstuffs. Commission document CS/PM/2356. Brussels, 15 May 1994. Project AIR-941025. Safety and Quality Control of Plastic Materials for Food Contact Materials. Final report 1997. In preparation. WARENWET, 1988, Dutch Food Law, Packaging and Utensils Regulation (VGB). Battum, D. van and Lierop, J.B.H. van. Testing of food contact materials in the Netherlands. Food Additives and Contaminants, 1988, 5 , 381-395. Lierop, J.B.H. van. Enforcement of European Community legislation at the national level. Food Additives and Contaminants, 1994, 11, 13 1 - 139. Lierop, J.B.H. van. Enforcement of food packaging legislation. Food Additives and Contaminants, 1997, 14, 555-561.
6
[lo] Battum, D. van and Lierop, J.B.H. van, 1997 Materials and articles in contact with foodstuffs, Guide for examination of plastic food contact materials. CEN TC 194/SCl/WG2 document N118. Project AIR3-CT94-2360. Stability of plastic additives in food simulants. Final report 1997. Guiochon, G. and Guillemin, C.L., Quantitative Gas Chromatography, Elsevier, 1988. Castle, L., Nichol, J. and Gilbert, J. Migration of polyisobutylene additive from polyethylene films into foods during microwave and domestic oven use. Food Additives and Contaminants, 1992, 9, 315-330. Feigenbaum, A., Bouquant, J., Hamadi, M., MCtois, P., Riquet, A. M. and Scholler, D. Quick methods to control compliance of plastic materials with food packaging regulations. Food Additives and Contaminants, 1997, 14, 571-582. Metois, P., Scholler, D., Bouquant, J. and Feigenbaum, A. Alternative test methods to control the compliance of food packaging materials with the European Union regulation: the case of aromatic antioxidants and of bis(ethano1amine) antistatics based on 'H-NMR and UV-visible spectrophotometry . Food Additives and Contaminants, 1997, in press.
[l 11
[12]
[13]
[14]
[15]
CHAPTER 2
GC retention times
It is described in the Dutch test method that a first identification of the additives can be performed by determination of the gas-chromatographic retention times. Therefore we provide the retention times of the additives which could be analysed by GC. The GC analysis was carried out on a Perkin Elmer autosystem XL with the following conditions. The column was a Hewlett Packard Ultra 1 column, 50 m x 0.32 mm with a film thickness of 0.52 pm of crosslinked methylsiloxane. The temperature program was 5 min at 50°C then raised at 5"C/min to 320°C and held for 26 min. The carrier gas was helium at 3.5 mL/min. The temperature of the injector was 260°C and injections of 1 pL of substance dissolved in diethylether were injected splitless. The flame ionisation detector used was held at 325°C. Under these conditions the retention times of the hydrocarbon markers were 20.1, 38.5 and 45.2 min for C,,, C,, and C,, respectively. Retention indexes of the reference substances can be calculated on basis of these retention times [ 121,
Infra red spectra
The manner in which Fourier Transform Infra-Red (FT-IR) spectra were obtained depended on the physical nature of the substance. The techniques used were formulation into KBr pellets and deposition onto KBr, KRS-5 or NaCl windows. Thus, ca. 1 mg of substance was mixed with KBr (50 mg) in a mortar. When transmission of the major peaks was low a larger amount of substance was used until all peaks had a satisfactory intensity. Spectra were acquired at 4 cm-' resolution using a MIDAC spectrometer. The sample and reference cell were scanned 60 times at 1.4 s/scan and the mean difference spectrum was plotted. FT-IR spectra were checked in a second laboratory using different instrumentation and conditions.
Mass spectra
Mass spectra were recorded under standardised conditions and a common format for data presentation has been adopted for each entry. For GC-MS, spectra were obtained using an updated Finnigan Mat SSQ 70 mass spectrometer coupled to a Varian 3400 gas chromatograph. Ionisation was by electron impact at 70 eV with a source temperature of 180°C. The scan range was 40 - 700 daltons. The GC was equipped with a J&W DB5m capillary column, 30 m x 0.32 mm with a film thickness of 0.52 pm 5% phenyl / 95% dimethylpolysiloxane. The GC temperature programme was 3 min at 40°C then raised at 20"C/min to 320°C and held at that temperature for 20 min. A solution of 100 pg/mL of the reference substance was prepared for the measurement in the GC-MS. As a check and also for substances that could not be analysed by GC-MS, mass spectra were also obtained in a second laboratory using different instrumentation and conditions.
7
8
Direct insertion probe MS spectra were acquired on a VG 7070 mass spectrometer. The substance dissolved in a suitable solvent was introduced into the mass spectrometer by the direct insertion probe heated at 350-400°C. In a small number of cases it was necessary to introduce the solid substance (for reasons of poor solubility) or to heat the probe to a higher temperature (for reasons of involatility). Electron impact spectra at 70 eV were recorded. Spectra were averaged and background-subtracted.
For particle - beam MS analysis, a VG Autospec magnetic sector mass spectrometer fitted with a VG LINC-Particle Beam Interface was used. Electron impact ionisation was used with 70 eV electron energy, a trap current of 500 pA and a source temperature of 250°C. The temperature of the expansion/desolvation chamber was set at 60°C. An HPLC pump was used to deliver the mobile phase (methanol) at a flow rate of 0.5 mL/min to the PB interface. The samples were dissolved in a suitable solvent at 1 mg/mL then diluted immediately prior to analysis to 100 pg/mL. Portions (10 pL) were injected to give a spectrum of appropriate intensity. The scan range was 40 to 1000 daltons with a 1.5 s scan time and an inter-scan delay of 0.5 s. The spectrometer was tuned using PFK to a resolution of better than 1000 and then calibrated. The nebuliser gas pressure and nebuliser position were optimised using 50 pL injections of 1 .O pg/mL caffeine solution.
NMR spectra
'H-NMR spectra were recorded using a Bruker AC 250 spectrometer (250 MHz) to average 16 scans of a 30 mg/ml solution of each additive at 25°C in CDCl, containing tetramethylsilane (TMS). Where solubility in CDC1, was poor, an alternative solvent was used and this is noted on the spectrum. For substances with a complex spectrum, a greater number of scans were averaged and this is also noted.
9
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Acids, fatty (C14-Cls), alkyl (Cl,-C,s) ester
Phvsical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 85566-24-1 - 31304 - None
- White flakes, mp 46 - 51°C. - Soluble in ether, hexane, toluene, chloroform,
dichloromethane.
- Store at room temperature.
- Standard sample was supplied.
- Lubricant. - General use.
- 53.3, 55.9, 58.2, 60.6min.
10
*
0 O 'E 0 0 CT
0 0
0
N 7
0 0
0 CT m 7
0 0
0 L n Ln
N
0 0
0
N m m
0 0
0 0 0
0 9 - 0 0
0 N
3
4 c.l
0 0 0
11'1 0 -
0 0 0
m m
0 0 0
h 7
0 0 0
h m
CAS NO. 85566-24-1
11
PM Ref. No. 31304
ACIDS, FATTY (C 14-c 18), ALKYL (C 14-c 18) ESTERS
Peak wavenumbet 407.0 719.5 729.2 1182.5 1 199.9 1221.1 1311.8 1377.3 1464.2 1473.8 1732.3 2849.2 291 6.7 2957.2
Yo T 74.0 85.1 86.4 75.8 79.6 86.5 90.9 89.9 75.8 76.6 58.5 33.0 24.7 62.5
3elative intensity 34.6 19.7 18.1 32.1 27.1 18.0 12.1 13.4 32.1 31.1 55.1
88.9 100.0 49.8
12
100 -
80 -
60 -
40 -
20 -
Acids, fatty (c1443, alkyl (C14-cl8) ester
L3
57 I
178 ll ,“t g17 I
100 200 300 400
M/Z Ion Intensity (%)
43 57 69 71 73 83 84 85
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
100.0 78.2 31.4 34.0 15.5 34.6 13.7 19.8
: Finnigan Mat SSQ 700 : Capillary GUMS : 180°C : 70 eV : 40-500
M/Z
97 111 168 213 239 257 424
Ion Intensity (%)
28.8 17.7 34.1 6.2 6.4
41.2 3.7
13
Acids, fatty (C1&J, alkyl (Cld-CIR) ester
3
MJZ
41 43 57 69 71 73 83
Ion Intensity (%)
55.4 100.0 73.9 32.3 39.7 17.2 34.9
M /Z
97 111 112 125 168 257 285
Ion Intensity (%)
22.7 9.5
11.3 10.8 21.2 14.3 12.9
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-500
14
Acids, fatty (c14-c18)7 alkyl (c14-&) ester
100
8 0
60
40
20
43
50 100 150 2 0 0 250 300
M/Z Ion Intensity (%) M/Z Ion Intensity (%)
41 32.7 43 100.0 57 85.6 69 35.2 71 50.4 73 11.2
83 37.6 85 24.6 97 27.2 111 19.0 125 7.2 257 32.4
Spectrometer Inlet system : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
15
Acids, fatty (C14-C18), alkyl (C14-C18) ester
2 57
160 260 360 460
2 57 I
4-Lk-L 2 0 0 '"i" 300 - 160
MIZ Ion Intensity (%) M/Z Ion Intensity (%)
41 43.7 43 100.0 57 99.0 69 35.9 71 39.4 73 16.4 83 36.6
85 24.3 97 30.2 111 13.3 125 11.2 224 10.5 257 32.4
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
85566-24-1
16384
17
Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-
methylphenyl ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
tert I
Physical Characteristics
Handling, Safety Availability
Current uses Applications
GC Retention time
- 61167-58-6 - 31520 - SML = 6.0 mg/kg
- 394 - C26H3403
- 2-( l,l-Dimethylethy1)-6-[[3-( 1,l-di-methylethy1)- 2-hydroxy-5-methylphenyl]methyl]-6-methyl- phenyl - acry 1 ate
- White granules, mp 131.9"C. - Soluble in acetone, chloroform, dichloro-
methane.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - Non polyolefins.
- 47.1 min.
18
0 0 0
Ln 0 -
- : g 0
w
0 0
0 N
7 -
0 0
0 v m -
0 0
0 L D Ln N
0 0
0
N D
m
0 0
0 0 0
0 - 0 0
0
V =f ..
CAS NO. 61167-58-6
19
PM Ref. No. 31520
ACRYLIC ACID,2-TERT-BUTYL-6-(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)- 4-METHYLPHENYL ESTER
Peak wavenurnbe 420.5 464.9 524.7 775.5 787.1 804.4 658.4 885.4 916.3 931.7 985.7 1012.8 1028.2 1088.7 1111.1 1163.2 1 180.6 1217.2 1226.9 1257.7 1296.3 1325.3 1360.0 1379.3 1388.9 1406.3 1439.1 1477.7 1508.5 1599.2 1633.9 1655.1 1686.0 1730.4 2868.5 2916.7 2957.2 3005.5 3493.5
% T 90.3 67.7 79.7 66.7 75.0 38.5 38.4 73.9 65.4 76.4 28.3 78.6 68.3 75.9 31.3 3.7 2.7 30.2 25.7 42.3 25.5 51.1 39.6 70.3 53.5 16.1 34.0 33.0 84.4 78.3 42.1 85.1 79.1 8.6 38.1 33.4 18.2 53.5 13.3
?elative intensity 10.0 33.2 20.9 34.2 25.7 63.2 63.3 26.8 35.6 24.3 73.7 22.0 32.6 24.8 70.6 99.0 100.0 71.7 76.4 59.3 76.6 50.3 62.1 30.5 47.8 86.2 67.8 68.9 16.0 22.3 59.5 15.3 21.5 93.9 63.6 68.4 84.1 47.8 89.1
20
Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylbe~yl)-4-
91
7 7 9 ' I I I
100 ,
40
20
133
I l l Ill I
methylphenyl ester
3:
2 6,3
121
105 1
M/Z Ion Intensity (%) M/Z
41 55 57 91 105 121 161 177 263
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
22.7 92.8 74.2 10.4 14.1 16.5 43.3 29.6 47.4
: Finnigan Mat S S Q 700 : Capillary GUMS : 180°C : 70 eV : 40-400
265 319 339 340 361 3 62 376 3 94 395
3 9 4
376
L Ion Intensity (%)
10.0 13.2 51.9 12.1
100.0 22.1 13.5 43.7 11.4
21
22
C2H5 I
4
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling
Availability Safetv
Current uses Applications
Adipic acid, bis(2-ethylhexyl) ester
- 00103-23-1 - 31920 - SML = 18 mg/kg - C22H4204 - 370
- Hexanedioic acid, bis(2-ethylhexyl) ester, Di(2-ethylhexyl) adipate, Dioctyl adipate
- Colourless liquid, mp -67.8"C, bp 360°C. - Soluble in alcohol, ether, acetone, acetic acid.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC, PVDC, coatings, paper.
GC Retention time - 45.0 min.
23
0 0 0
In 0
I I 1 I I I I I C
0 0 0 - m
0 0 0
N P
- 0 '
0 0
0 D
0 N r 7
0 0
0 v m F
0 0
0 0 In N
3 3
3 D u -I
0 0 0
N 7
J 0 0 - 0 0
0
p" M
I \
24
CAS NO. 00103-23-1
ADlPlC ACID, BIS(2-ETHYLHEXYL) ESTER
Peak wavenumbei 455.3 484.2 501.6 731.1 771.6 904.7 966.5 1014.7 1062.9 1078.3 1142.0 1172.9 1242.3 1360.0 1383.1 141 9.8 1464.2 1738.1 2862.7 2874.3 2934.1 2959.2 3454.9
Yo T 92.0 93.6 94.6
86.6 89.3 84.1 77.7 77.6 74.0 37.0 25.4 40.5 64.0 57.2 73.3 40.9 9.85 31.63 30.47 13.80 14.48 90.07
88.0
PM Ref. No. 31920
qelative intensity 8.8 7.2 6.0 13.3 14.8 11.9 17.6 24.7 24.9 28.8 69.9 82.8 66.0 39.9 47.5 29.6 65.6 100.0 75.8 77.1 95.6 94.9 11.0
25
Adipic acid, bis(2-ethylhexyl) ester
70
65
55
50
.-x100.00-* PM31920
M I Z
43 55 56 57 69 70 71 83 84 87
Ion Intensity (%)
20.8 30.4 11.6 45.6
8.7 31.7 32.4 16.0 10.5 7.0
MJZ
100 101 111 112 113 129 130 147 24 1 259
6.7E.5
6.3E5
6.OE5
5.6E5
5.3E5
4.9E5
4.6E5
4.2E5
3.9E5
3.5E5
3.2E5
2 , BE5
2.5E5
2.1E5
1. BE5
1.4E.5
1.1E5
7.OE4
3.5E4
0 . OEO I M I -
Ion Intensity (%)
5.5 10.1 14.7 40.1 18.1
100.0 5.9
25.9 11.5 9.4
Spectrometer : VG Autospec Inletsystem Source Temperature : Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
26
27
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Applications
Adipic acid, dibutyl ester
GC Retention time
- 00105-99-7 - 32240 - SML = 3.0 mg/kg - C,4H,,O, - 258
- Hexanedioic acid, dibutyl ester Dibutyl adipate
- Colourless liquid, mp -32.4"C, bp 305°C. - Soluble in alcohol, ether, acetone, acetic acid.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - General use.
- 33.2 min.
28
0
0 N *
0 0
ro m - c
0 0
N in
m
0 0
ro in N
m
0 0
W
N m cu
0 0
0 0 D -
O W 0 0
0 m
0 0 0
in *
0 0 0
0 ro
0 0 0
in P-
0 0 0
O m
0 0 0
L l 0 -
a3UtJq TUSUtJl X
CAS NO. 00105-99-7
ADlPlC ACID, DI-N-BUTYL ESTER
Peak wavenurnbc 414.8 434.0 455.3 470.7 51 1.2 586.4 667.5
947.2 1024.3 1076.4
1180.6 1242.3 1360.0
1421.7 1462.2 1504.7 1730.4 2766.3
2945.7 31 15.4 3138.6 3206.1 3233.1 3269.7 3294.8 3304.5
3341.1 3379.7 3418.3 3443.4 3472.3 3634.3 3659.4
3705.7
738.8
I 147.8
1392.8
2874.3
3323.8
3686.4
% T
78.2
84.0 82.4 88.8
78.7
77.2
94.2 93.1
83.0
73.9 55.6 32.3 19.0 28.2
50.9 61.4 42.0
11.5 91.2 34.9 20.8 68.8 71.2 67.4 65.2 63.2 61 .O
48.6
88.9
57.8 58.8 59.1 53.0 49.5 46.9 46.9 77.2
81.9 80. 1
87.1
29
PM Ref. No. 32240
ielative intensity 25.8 24.6 6.6 7.8 18.1 19.9 12.7 19.2 24.0 29.5 50.2 76.5 91.5 81 .I
55.4 43.6 65.5 12.5
100.0 10.0 73.5 89.5 35.2 32.5 36.8 39.4 41.6 44.0 47.7 46.5 46.2 53.1 57.1 60.0 60.0
22.5 20.4 14.6
58.0
25.8
30
Adipic acid, dibutyl ester
1 3 9 45 50
M/Z
29 41 43 55 56 57 83 87
1
_12
127 1
1
143 156 , , I , , , ,
150
Ion Intensity (%) M/Z
I
273 2 5 8
I I . , 1 I ' I
200 250
45.4 47.8 20.7 50.7 44.9 28.8 17.8 30.1
Spectrometer Inletsystem
: Finnigan Mat SSQ 700 : Capillary GUMS
Source Temperature : 180°C Electron Energy : 70 eV Scan Range : 25-500
100 101 111 129 143 156 185 186
Ion Intensity (%)
23 .O 24.9 53.9 84.7 26.3 23.7
100.0 10.0
31
L
32
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alkyl (C,,-C,,)benzenesulphonic acid, sodium salt
S-ONa
0 U
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 33800 - None
- Light beige past. - Soluble in water, alcohol, ether.
- Store at room temperature. - Irritant. - Preparation in aqueous solution.
- Antistatic agent, emulsifier. - PP, PVC.
- Alkyl (C,,-C,,)benzenesulphonic acid cluster 28.3 - 39.9 min.
33
I - s
0 0 0
m 0 c
0 0 0
r- W
0 0 0
LI, I0
- S'E 80 *
0
0 9
2 F
0 0
0 * m
0 0
0 W m N
0 0
0
cu rn m
0 0
0 0 0
o w 0 0
m
0 0 0
m m 7
1 %
34
CAS No. PM Ref. No. 33800
ALKYL(C 10-C 13) BENZENESULPHONIC ACID
Peak wavenumbed % T I Relative intensitv 445.6 468.8 584.5 61 1.5 692.5 833.4 1012.8 1045.6 1132.4 1 197.9 1466.1 1496.9 1603.0 2855.0 2924.4 2957.2 3437.6
89.5 91.1 65.1 72.5 68.8 75.3 55.5 43.6 41.4 21.1 71.6 89.2 85.1 39.5 20.5 40.1 70.1
13.2 11.2 43.9 34.6 39.3 31.1 56.0 71 .O 73.7 99.3 35.7 13.6 18.8 76.2 100.0 75.4 37.6
35
100 -
80 -
60 -
40 -
20 -
28
g 1 ,,I ,
Alkyl (C,,-C,,)benzenesulphonic acid, sodium salt
p-49 1_62 177 188 20p I , , . I , , ,, 1 1 , I /
9
14 I
, 2 , i ~ ,
100
MIZ Ion Intensity (%)
41 7.5 43 6.4 57 6.7 59 6.1 74 8.1 91 100.0
147
I 1611 21$
MIZ Ion Intensity (%)
104 5.3 105 21.1 147 21.7 161 9.2 218 10.2 219 0.4
Spectrometer Inletsystem : Capillary GUMS Source Temperature : Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
36
Alkyl (C,,-C,,)benzenesulphonic acid, sodium salt
9
161 I
I 105
I 119 133 189
I I 147
5b 150 200 250
MIZ Ion Intensity (%) MIZ Ion Intensity (5%)
41 13.9 43 10.3 55 9.5 57 5.0 91 100.0 92 6.1
105 17.9 119 4.5 133 4.4 161 19.6 189 5.3
Spectrometer Inlet system : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500 . .. CI
3 1
1117 1?3 \47 1,154 21? I, I I , I I
Alkyl (C,,-C,,)benzenesulphonic acid, sodium salt
241 322 I 1
5b 1 6 0
05
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 16.28 43 8.6 79 7.4 91 16.5
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180' C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
105 100.0 106 7.9 232 8.1
38
39
Alkvl (C,,-C,,,)sdphonic acid, esters with phenols
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
R-S-0
- 34240 - SML = 6.0 mg/kg
- Colourless liquid. - Soluble in water, alcohol, ether
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC.
- Cluster 40.9 - 52.0 min.
40
t -
I I I I I I I I
0
0 0 0
0 0
0 N
7 7
0 0
0 w
E
0
0 0 Ln N
9
0
0
N m
9 m
0
0 9
R - o w 0 0
0 N
0 0 0
h m
0 0 0
0 0
7 w h Ln
0 0 0 0
Ln 0
g 0
m m -
a 3 u e q l y s u e J l
CAS No.
41
PM Ref. No. 34240
ALKYL (C 1 0 4 20) SULPHONIC ACID, ESTERS WITH PHENOLS
Peak wavenumbe 414.8 439.8 542.1 621.2 688.7 729.2 775.5 860.4 91 0.5 1024.3 1 145.9 1 169.0 1 192.2 1352.3 1489.2 1589.5 2855.0 2928.3
% T 88.7 88.2 85.2 88.1 62.0 68.5 56.0 28.2 83.1 85.8 27.4 52.7 50.6 45.9 41.6 78.3 46.6 27.60
Relative intensity 15.6 16.3 20.4 16.4 52.3 43.4 60.6 98.8 23.3 19.6 100.0 65.1 68.0 74.4 80.4 29.9 73.5 99.7
42
Alkyl (C,,-C,)sulphonic acid, esters with phenols
MIZ
41 43 55 56 57 65 69
Ion Intensity (%)
17.5 21.0 19.7 6.5
17.3 5.3
12.5
MIZ
70 71 83 85 94 95 97
Ion Intensity (%)
5.4 9.0 7.8 5.0
100.0 9.7 5.9
Spectrometer : VG Autospec Inletsystem Source Temperature : Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range 40-1000
43
i
I
44
Azelaic acid, bis(2-ethylhexyl) ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 00103-24-2 - 36320 - SML = 3.0 mg/kg - C25H4804 - 412
- Nonanedioic acid, di(Zethylhexy1) ester, Di(Zethylhexy1) azelate
- Colourless liquid, mp -78°C
- Soluble in alcohol, acetone, benzene. bp 208 - 210°C (4 IIXII Hg).
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. 2 PVC, PVDC, inks.
- 49.6 min.
45
0 0 0
0 m
..
0 0
0 UY ln N
0 0
0
N m m
0 0
0
0 - 0 0
0
8 ..
46
CAS NO. 00103-24-2 PM Ref. No. 36320
AZELAIC ACID, BIS(2-ETHYLHEXYL) ESTER
Peak wavenumbe 410.9 437.9 729.2 773.6 962.6 1010.8 1093.8 1 174.8 1228.8 1360.0 1381.2 1421.7 1464.2 1738.1 1863.5 2860.8 2932.2 3738.5
% T 73.4 66.9 66.6 70.2 70.1 62.8 61.4 18.7 32.9 53.3 45.8 59.7 30.4 6.4 75.7 17.9 6.3 75.8
3elative intensity 28.4 35.3 35.7 31.8 31.9 39.7 41.2 86.8 71.6 49.9 57.8 43.1 74.3 99.9 26.0 87.6 100.0 25.8
47
100 -
80 -
60 - - 57,
40 - 7;
8
20 -
Azelaic acid, bis(2-ethylhexyl) ester
1/2 283
189 I 301 I 2 p l 241 265
1 / , , I , I 1 " " " " ' 1 " " " " ' 1 " " '
2 0 0 300 400
M/Z Ion Intensity (%) M/Z
41 43 55 56 57 70 71 83
22.3 29.1 31.4 11.3 53.8 33.9 34.1 18.3
84 112 113 152 171 172 283 301
Ion Intensity (%)
10.5 29.9 11.1 9.7
100.0 9.1 9.7 5.0
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 25-500
48
49
Azelaic acid, bis(6-methylheptyl) ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
- 00106-03-6 - 36400 - SML = 3.0 mg/kg - C,,H,,O, - 412
- Di(6-methylheptyl) azelate, Dioctyl azelate, Nonanedioic acid, di(6-methylheptyl) ester
- Colourless liquid, - Soluble in alcohol, acetone, benzene.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC, PVDC.
- Cluster 48.8 - 51.5 min.
- Contains other octyl isomers.
50
<
I I I I I I
0 0 0
d
0 0
Ln 9
0 m
0 0 0
m u3
0 0
cu * 9
0 0 9 - cu
.. 'E! e
d
0
0 9
2 c
0 0
0 * z
0 0
0 0 In cu
0
0
m
9
$?l
0 0
0 0 0
o w 0 0
0
CAS NO. 00106-03-6
51
PM Ref. No. 36400
AZELAIC ACID, BIS(6-METHYLHEPTYL) ESTER
Peak wavenumbei 414.8 426.3 451.4 727.3 993.5 1093.8 1172.9 1246.2 1365.8 1381.2 1421.7 1464.2 1738.1 2872.4 2930.2 3337.3 3391.3
% T 76.2 92.1 90.1 89.8 86.1 68.8 17.5 34.0 50.5 49.9 68.6 34.9 6.9 22.2 7.0 87.5 81.3
qelative intensitv 25.6 8.5 10.6 11.0 15.0 33.5 88.7 70.9 53.2 53.9 33.8 69.9 100.0 83.6 99.9 13.4 20.1
52
Azelaic acid, bis(6-methylheptyl) ester
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 42 43 55 56 57 69 70 71 83
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
100.0 81.0 34.4 33.7 21.5 57.7 41.1 19.6 35.6 20.2
84 97 111 112 113 129 152 171 185 283
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
23.3 13.5 6.1
16.6 10.4 6.7 8.6
34.4 11.7 17.8
53
54
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
07128-64-5 38560 SML = 0.6 mglkg
430 C26H26N202S
2,2’-(2,5-Thiophenediyl)bis(5-tert-butyl- benzoxazole)
Yellow powder, mp 196 - 203°C. Soluble in acetone, toluene.
Store at room temperature.
Standard sample was supplied.
UV-stabilizer, optical brightner. General use.
64.8 min.
55
0 0 0
Ln 0 -
0 0 0
0 r
0 0 0
h h
0 0 0
m 0
0 0 0
m w
r
0 'a Ep
0 0
0
$I c
0 0
0 cr
m
0
0 u3 n N
9
g 0
N m m
0 0
0 0 0
o w 0 0
Ln m
Y a4 =I k
, 3 ..
B z
56
CAS NO. 07128-64-5 PM Ref. No. 38560
Peak wavenumber 418,6 459,l 501,6 522,8 648,2 677,l 71 5,7 756,2 808,3 835,3 877,7 906,7 918,2 931,7 999,3 1026,3 1 122,7 1 196,O 1221,l 1253,9 1265,5 1307,9 1334,9
1363,8 1392,8 1425,6 1446,8 1464,2 1477,7 1504,7 1579,9 1612,7 2866,6 2901,3 2955,3
i 34a,4
?'o T 72,5 89,9 92,l 93,4 73,9 91,7 52,O 92,9 38,9 80,8 70,5 82,4 89,l 84,8 77,O 44,9 83,5 57,O 75,4 60,4 53,4 80,9 70,l 59,7 71,7 86,4 75,O 72,4 71,4 56,7 62,4 46,2 150 74,4 72,2 54,3
Relative intensity 45,l 16,6 13,O 10,8 42,8 13,6 78,7 11,6 100,o 31,5 48,4 28,9 17,9 24,9 37,7 90,4 27,l 70,5 40,3 64,9 76,4 31,3 49,O 66,l 46,4 22,3 41 ,O 45,3 46,9 71 ,O 61,7 88,2 139,4 42,O 45,6 74,9
57
.
100
80
60
40
20
415
l p 5 2 0,o
1?3 172
2 0 7 I? I
103 A 1 1 186 2F7
239 2 84 331 359 387 73 8 9 1Zp 166
1
1 1 111 I I8II II I l l l , h , , I , , ! I , - , ' ' I "
4 3j
I , I , ) , , , , , I , , ,
MIZ Ion Intensity (%) MIZ
41 77 79 103 105 133 172 186 200
10.1 17.4 11.5 11.3 30.9 22.3 22.2 9.6
31.1
267 415 416 417 430 43 1 432 433
Ion Intensity (%)
9.8 66.3 16.5 5.2
100.0 27.6 7.5 1.5
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-500
0 38560 Solvent CC Name 2,5-BlS(5-tert-BuTYL-2-BENZOXAZOLYL,) THIOPHENE
SW 31:
59
N,N’-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl) hydrazide
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
t e r t . Butyl>
/
t e r t . Butyl
- 32687-78-8 - 38800 - SML = 15 mg/kg - C34H52N204 - 552
- 1,2-Bis(3,5-di-tert-buty1-4-hydroxy-hydro- cinnamoy1)-hydrazine
Physical Characteristics - White powder, mp 225 - 227°C. - Soluble in most organic solvents.
Handling,
Availability
- Store at room temperature.
- Standard sample was supplied. Safety - Harmful.
Current uses Amlications
- Antioxidant. - Polyolefins, styrene co-polymers, polyacetals.
G C Retention time - 65.4 min.
60
0 3 0
0 n
0 9L
I
i z .. E 2"
CAS NO. 32687-78-8
61
PM Ref. No. 38800
N,N'-BIS(3-(3,5-DI-tert-BUTYL-4- HYDR0XYPHENYL)PROPlONYL) HYDRAZIDE
Peak wavenumber 420,5 569,l 61 5,4 665,5 708,O
769,7 877,7 918,2 993,5
1 122,7 1 147,8 1 180,6 1205,7 1232,7 1275,l 1319,5 1360,O 1388,9 1414,O 1435,2 1485,4 1551 ,O 1612,7 1664,8 1676,3 2920,6 2961,l 3238,9 3618,9 3644,O
% T 65,O 88,2 89,2 89,8 83,7 83,5 79,4 90,9 86,2 70,7 61,9 80,5 74,2 50,4 84,4 71,7 70,O 88,8 86,8 46,3 59,O 84,4 84,3 50,O 43,l 63,4 45,4 57,2 53,O 81 ,O
Relative intensity 61,6 20,8 19,o 17,9 28,7 29,O 36,2 16,O 24,3 51,5 67,O 343 45,4 87,2 27,4 49,8 52,8 19,7 23,2 94,5 72,l 27,4 27,6 88,O 100,o 64,4 96,O
75,3 82,7 33,4
62
N,N'-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl) hydrazide
1.3El
I. 2El
1.217
1.111
1,017
9.616
9 . 0 1 6
259 8.3E6
1.616
6.9E6
6.216
5.5E6
k.8E6
211 1.1E6
3.4E6
2.816
2.1E6
316 1.1E6
6.915
, , , 0.0EO
531
496 552 292
nl
M I Z Ion Intensity (%) MIZ Ion Intensity (%)
55 57 69 91 101 119 147 161 188 203
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
54.6 98.8 32.5 37.4 28.8 31.3 82.8 30.1 66.9 75.5
213 219 220 224 259 277 496 534 552 553
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
42.9 100.0 31.9 76.7 60.1 30.7 15.9 21.1 15.3 5.8
63
Q
64
Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite
0 I1
t e r t . Buty l t e r t . Buty l
b
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses ADplications
GC Retention time
- 26741-53-7 - 38820 - SML = 0.6 mg/kg - C,,H,,O*P* - 636
- White powder, mp 160 - 175°C. - Soluble in toluene, acetone, dichloromethane.
- Store at room temperature. - Irritant. - Standard sample was supplied.
- Stabilizer. - PET, PC, PVC, polyolefins.
- 65.1 min.
65
0 0 0
in
0
0 0 0
w m
- ? '6 0
* 0 0
0
0 9
2 7
0 0
0 w m 7
0
0 u3 in cu
?
0
0
N I T
9 m
0 0
0 0 0
o w 0 0
0
66
CAS NO. 26741-53-7 PM Ref. No. 38820
BIS(2,4-DI-TERT-BUTYLPHENYL)PENTAERYTHRlTOL DIPHOSPHITE
Peak wavenumbe 418.6 482.3 499.6 580.6 644.3 663.6 677.1 694.5 735.0 767.8 779.3 796.7 823.7 856.5 889.3 910.5 968.4 1016.6 1068.7 1088.0 1145.9 1 192.2 1226.9 1273.2 1361.9 1387.0 1402.4 1460.3 1495.0 1605.0 2868.5 2930.2 2957.2 3404.8
% T 47.9 88.3 76.1 77.8 75.9 70.0 73.7 44.3 21.9 26.9 37.4 73.5 53.0 20.5 83.5 52.2 73.4 10.48 66.00 45.14 31.21 36.99 20.98 72.21 50.75 78.32 68.42 61.33 27.09 90.55 52.48 41.48 20.55 88.05
qelative intensity 58.2 13.1 26.7 24.8 26.9 33.5 29.4 62.2 87.3 81.6 70.0 29.6 52.5 88.8 18.4 53.4 29.7 100.0 38.0 61.3 76.8 70.4 88.3 31 .O 55.0 24.2 35.3 43.2 81.4 10.6 53.1 65.4 88.7 13.4
67
Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite
100
8 0
6 0
40
20
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 53 55 57 83 91 117 147 159
16.2 14.1 11.4
100.0 15.6 4.8
37.5 22.8
5.3
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range 40-700
191 215 23 7 279 287 399 589 604 605
6.7 11.4 5.4
34.6 37.7 9.4 4.9
21.8 7.4
26141 -53-7 BIS (2,4-DI-TERT-BUTyLPENYL) PENTAERYTHRITOL DIPHOSPHITE
16384 SW 3125 NS 32
69
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
Bis(4-ethslbenzslidene) sorbitol
tn,-+n-+n-cn,-on
- 79072-96-1 - 38950 - None - C24H3006 - 414
- White powder, mp 212 - 226°C.
- Store at room temperature.
- Standard sample was supplied.
- Nucleating agent. - PP.
GC Retention time
70
0 a 0
Ln
f2
0 0 0
Ln m
0 0
m N
0 0 0
*
0 0 a
r. Ln
9 m
a w e p , y s u e d l ,y
0 0
0 v m -
0 0
0 m N rn
0 0
0 0 0
0 - 0 0
0 -
3
CAS NO. 79072-96-1
BIS(4-ETHYLBEN2YLIDENE)SORBlTOL
Peak wavenurnbe 414.8 451.4 466.8 430.5 551.7 563.3 513.4 661.7 721.5 758.1 783.2 835.3 883.5 900.9 945.2 980.0 1016.8 1045.6 1049.1
1068.7 1094.6 1134.3
1169.0 1225.0 1246.2 1263.5
1311.8 1329.1 1342.6 1371.6 1400.5 1421.7 1458.4 1418.2 1618.5
1701.4
2870.4
2932.2 2959.2 3030.5 3063.3 3225.4 3590.0
% T 91.0 95.0 93.4 86.1 83.4 65.3 63.9 72.0 75.7 75.4 64.6 31.5 75.2 89.5 70.7 42.8 18.0 51.5 41.3 37.5
13.0 56.9 45.5 63.9 81.2 70.4 63.1 49.8 34.6 48.2 33.0 43.1 49.8 71.6 82.9
90.6
46.9
47.0 32.7 72.1 71.9 31.4 90.9
ielative intensity 10.3 6.1 8.0 17.0 20.2 42.3 44.0 34.1 29.6 30.0 43.2 83.5
30.2 12.8 35.7 69.8 100.0 59.1 71.6 76.2 106.1 52.6
66.5 44.0 22.9
36.1 45.0 61.2 79.8 63.2 81.7 69.4 61.2 34.6
20.9
11.5
64.8
64.6 82.1 34.0 34.3 83.7 11.1
71
PM Ref. No. 38950
P ' 8 I 2'22 L'9I 9'01 P'OI S'EZ S'L S'ZS 1.8 T'L
~
i
i
/ 5E 1
S I P P I P ESE LEZ ZEZ 022 902 LLI IS1 0s I
6 1 l
9'9 9'EL I ' 6 P 0'001 L'PI L'SS 0'02 6'21 9'8 S'ZZ
!I
9EI SEI PET EEI 621 61 1 SO T
16 18 6L
P
-0ot EEI
ZL
73
74
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
N , N-Bis (2-hy droxy ethyl) alkyl ( C8-C 3 amine
Physical Characteristics
Handling Safety Availability
Current uses Applications
- 71786-60-2 - 39090 - SML = 1.2 mg/kg as free amine
- Slightly yellow liquid, mp -2°C. - Soluble in acetone, hexane.
- Store at room temperature. - Strongly alkaline. - Standard sample was supplied.
- Antistatic agent. - PS, PVC, PE, PP.
GC Retention time
75
Y
3 0 3
.r W
0 0 0
In 0 -
0 0 0
N
0 0 0
N v
0 0 0
m 0 7
a w q J y s u e J 1
- 3 <g 0 0 v
0 0
0 N
v- -
0 0
0 T W -
0 0
0 u3 In N
D
0
N
9 m n
0 9
& M
.. 0 0 0
0 - D 0
0
76
CAS NO. 71786-60-2 PM Ref. No. 39090
N,N-BIS(2-HYDROXYETHYL)ALKYL (C8-CI8AMINE)
Peak wavenumbe 414.8
437.9
451.4 534.4
559.8
559.4 723.4
779.3 1045.6
11 55.5
1240.4
1288.6
1377.3
1468.0
2735.4 2855.0
2924.4 3345.0
% T 93.2 93.9
94.9 94.9 94.6
94.0 62.7
46.4 44.7
81.5
84.1
80.7
70.2
49.9 88.2
18.7
7.7 51 .O
?elative intensity 7.4 6.6
5.5 5.5
5.9 6.5
40.4
58.1 59.9
20.0
17.2
20.9
32.3
54.3
12.8 88.1
100.0 53.1
77
80
70-
60
50
40
8s
N, N-Bi~(2-hydroxyethyl)alkyl(C~-C,~)amine
256
I
204
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 8.0 43 100.0 49 12.0 74 15.3 88 31.3 118 100.0
255 24.7 256 65.3 284 29.3 285 6.0 288 23.3
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400 O C Electron Energy : 70 eV Scan Range : 40-1000
Solvent CDCL3 (=)(CASnO) Name 71786-60-2 N,N-BIS(2-HYDROXYETHYL)ALKYL(Cs-C I 8)AMINE
16384
- ,& 1.0 0.5 0.0
79
C H r C H r O H I /
C i i H 2 3-L-N \ C H r C H r O H
CAS No. - 00120-40-1 PM Ref. No. - 39280 Restrictions - None Formula - C16H33NO3 Molecular weight - 287
Alternative names - Lauryl diethanolamide
Physical Characteristics - Colourless viscous liquid, mp 39°C. - Soluble in alcohol, methanol, ether.
Handlinq Safety Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Antistatic agent. - General use.
GC Retention time - Degradation product Lauric acid 28.8 min.
80
0 0 0
Ln z 0 0 0
w CO
0 0 0
N 7
- : 'E 0 0 w
0 0
0
$I F
0 0
0 w CO -
0
0 \o Ln N
9
0 0
0 CO N m
0
9 0 0 0
0 - 0 0
0
3
? 0
2 ..
CAS NO. 00120-40-1
N,N-BIS(2-HY DR0XYETHYL)LAURAMIDE
Peak wavenumbe 41 0.9 428.3 457.2 486.1 513.1 538.2 598.0 61 9.2 644.3 723.4 862.3 920.2 943.3 1053.3 1 163.2 1213.4 1296.3 1369.6 1427.5 1468.0 1566.4 1622.3 2513.6 2687.2 2853.1 2924.4 3090.3 31 15.4 3275.5
Yo T 88.5 86.2 87.1 90.7 85.4 89.4 89.4 86.7 89.7 84.5 83.0 89.5 86.5 22.0 86.1 69.8 60.6
45.85 28.42 20.54 39.24
14.25 82.54 66.60 5.52 1.11
39.16 35.93 14.74
81
PM Ref. No. 39280
3elative intensity 11.6 14.0 13.0 9.4 14.8 10.7 10.7 13.4 10.4 15.6 17.1 10.6 13.6 78.8 14.1 30.5 39.8 54.8 72.4 80.3 61.4
86.7 17.7 33.8 95.5 100.0 61.5 64.8 86.2
82
N, N-Bis(2-hydroxyethy1)lauramide
PM39210
MJZ Ion Intensity (%) MJZ
41 43 55 57 69 70 85
21 .o 99 22.7 112 15.8 114 14.0 115 6.3 126
11.7 129 7.1 142
Ion Intensity (%)
17.8 12.6
100.0 6.5 6.2 8.2 7.5
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
83
1 3 8
Lauric acid
1s 8
60 7 3 I
9
M/Z
41 42 43 55 56 57 60 61 69 71
Ion Intensity (%)
84.1 18.9 87.4 59.9 14.6 51.8
100.0 16.6 28.0 25.2
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
14,3 'T 171
M/Z Ion Intensity (%)
73 83 85 87 97 101 115 129 157 200
96.6 14.5 23.0 15.0 9.3
11.9 15.24 33.1 18.0 10.0
84
85
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
t e r t . Butyl\
C8HI.7 I s
/ t e r t . Butyl S
I C8HI.7
Handling Safety Availability
Current uses Applications
GC Retention time
- 00991-84-4 - 40000 - SML = 30 mglkg - C33H,&OS, - 588
- Phenol, 4 4 (4,6-bis(octylthio)- 1,3,5-triazin- 2-yl)amino)-2,6-bis( 1,l-di-methylethy1)-
- White to light yellow crystalline powder,
- Soluble in benzene, acetone, hexane. mp 91 - 96°C.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - Styrene co-polymers, PP, rubber.
- 79.4 min.
86
is===-
0 0 0
‘p m
3
8 N v
0
8 - N
3
CAS NO. 00991-84-4
87
PM Ref. No. 40000
2,4-BlS(OCTYLMERCAPTO)-6-(4-HYDROXY-3,5-Dl-tert- - BUTY LAN I LI NO)- 1,3,5-TRIAZI N E
Peak w avenum be r 4 14,8 457,2 478,4 505,4 530,5 542,l 609,6 688,7 733,O 765,8 798,6 860,4 875,8 1043,6 1 1 16,9 1145,9 1 184,4 1201,8 1230,7 1253,9 1279,O 131 1,8 1377,3 1406,3 1439,l 1477,7 1493,l 1524,O 1570,3 1606,9 2764,3 2853,l 2924,4 2955,3 3107,7 31 55,9 3200,3 3246,6 3628,5
O/o T 82,8 89,9 92,4 93,2 94,3 89,O 72,4 88,5 72,l 68,7 66,O 68,l 72,O 52,7 73,5 50,5 50,8 62,5 375 23,4 28,4 70,9 19,2 53,7 25,l 36,8 22,5 7,7 25,4 46,9 91,l 37,5 21 ,o 27,9 63,5 79,7 77,8 61,6 59,O
Relative intensity 18,6 10,9 8 2 7,4 6 2 11,9 29,9 12,5 30,2 33,9 36,9 34,6 30,4 51,3 28,7 53,7 53,3 40,7 67,8 83,O 77,6 31,5 87,6 50,2 81,2 68,5 84,O 100,o 80,9 57,6 9,6 67,8 85,6 78,2 39,6 22,o 24,l 41,6 44,4
88
,
0 SiO do
2,4-Bis(octylmercapto)-6-(4-hydroxy-3,5-di-tert-butylanilino)- 1,3,5-triazine
1.lE7
1.617
1.501
1 . 4 1 7
1.391
1.2El
I . 211
1,187
9 .806
8 . 9 1 6
8 . 0 1 1
7.116
6.216
5.3ES
4.4E6
3.6E6
P. l I6
1.816
8 . 9ES
0.000 rn
9
MIZ Ion Intensity (%)
41s
511
1 6 4 I
289 231 I
MIZ
41 43 55 56 57 69 70 71 83 23 1
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
62.6 100.0 49.1 29.4 79.8 29.4 20.2 19.6 17.2 20.2
273 289 364 476 477 53 1 54 1 588 589 590
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
Ion Intensity (%)
79.8 22.1 22.7 48.5 20.9 17.8 26.4 92.0 79.8 46.0
[ i) ('*"") 00991-84-4 2,4-BIS (OCTYLMERCAPTO)-6-(4-HYDROXY-
3,5-DI-TERT-BUTYLANILINO)- 1,3,5-TRIAZINI uj 163 84
I
90
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
- 110553-27-0 - 40020 - SML = 6.0 mg/kg - C,,H,OS, - 424
- 2,4-Bis((octylthio)methyl)-o-cresol
- Pale yellow liquid, mp approx. 14°C
- Soluble in most organic solvents. bp > 178°C (0.08 mm Hg).
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - Styrene co-polymers, paraffin waxes, coatings.
GC Retention time
91
3 F!
* m
w N v
r>
0 0 -4.
0 0
0
2 L-
0 0
0 v m
3 0
0 rD L n n,
0 0
0
m 83
0 0
92
CAS NO. 1105532-27-0 PM Ref. No. 40020
Peak wavenumber 414,8 436,O 447,5 476,5 515,l
723,4 748,5 879,7 974,2 1020,5 1 153,6 1217,2 1286,7 1304,O 1350,3 1377,3 1468,O 1483,4
2855,O
2926,4 3308,3
'/o T I Relative intensity 89,7 92,4 95,O 89,2 86,7 76,O 76,5 83,6 89,7 79,l 69,5 41,4 64,4 66,6 74,3 72,6 42,6 30,4
16,l
52 64,6
10,9
8,O 5,3 11,4
14,O 25,3 24,8 17,3 10,9 22,o 32,2 61,8 37,6 35,2 27,l 28,Q 60,6 73,4 88,5
100,o 37,3
93
M/Z
41 43 47 55 56 57 69 70 83 91
p110020 1.
1.6E1
1.6E1
1.5E7
1.461
1.3E7
1.2E1
1.1El
1.OE1
9.516
0.6E6
1.066
6.9E6
6 . 0 1 6
5.215
4.3E6
3.4E6
2 . 6 1 6
1.116
121
Ion Intensity (%)
92.0 99.8 66.9 89.0 99.4 82.8 77.3 91.4 83.4 74.8
M/Z
112 133 134 135 136 146 279 280 424 425
Spectrometer Inletsystem
VG Autospec : Flow injection particle beam MS
Source Temperature : 250°C Electron Energy : 70 eV Scan Range : 40-1000
Ion Intensity (%)
64.4 82.8 96.3 98.8 72.4 79.8
100.0 73.6 27.7 8.5
94
95
Bisphenol A
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 00080-05-7 - 40060 - SML = 3.0 mg/kg - C,,H,,O* - 228
- 2,2 Bis(4-hydroxyphenyl) propane
- Coarse powder, mp 150 - 155"C,
- Soluble in most organic solvents. bp 250 - 252°C (13 ITUII Hg).
- Store at room temperature. - Irritant. - Standard sample was supplied.
- PVC, PC, epoxy phenolic coatings. - Monomer, stabilizer.
- 40.5 min.
96
0 0 0
0 - 0 0
In -r
0 0
h In
0 0 0 0
m
8 0 0 0 0
0 0 0
In 0 D 10 7 m m F
a3U'dJ$~iUSJeJl X
3
O 'E gfJ
0
0 N
9
F 7
0
0 -r 9
m
0 0
0 10 In N
0 0
0 m N m
0 0
.. i?
CAS NO. 00080-05-7
Peak wavenumbei 430.2 439.8 551.7 565.2 827.6
1 1 13.1 1147.8 1 176.7 1219.2 1294.4 1361.9 1435.2 1446.8 1510.5 1599.2 1612.7 2932.2 2965.0 3235.0 331 8.0
% T 94.4 94.9 76.5 80.3 57.3 88.3 85.5 63.2 57.9 80.5 78.4 76.2 73.5 51.2 72.1 74.5 87.5 76.55 73.00 66.18
97
PM Ref. No. 40060
BISPHENOL A
3elative intensity 11.4 10.5 48.0 40.2 87.5 24.1 29.6 75.4 86.3 40.0 44.2 48.8 54.3 100.0 57.2 52.2 25.7 48.0 55.3 69.2
8'9 2'82 Z'EI 0'001 6'8 1'9 9.82 9'8
622 822 P I 2 €12 s9 1 SET 61 I ST T
2.21 8'PZ 6'11 P'91 E'P 9'E O ' S 0'2 L'.9
LO T T6 LL S9 SS ES IS €9 I9
86
99
i
100
tert-Butyl-4-hydroxyanisole
OH
CAS No. - 25013-16-5 PM Ref. No. - 40720 Restrictions - SML = 3.0 mg/kg Formula - C,,H,,O, Molecular weight - 180
Alternative names - Butylated hydroxyanisole (BHA)
Physical Characteristics - Slightly yellow flakes, mp 48 - 55”C,
- Soluble in most organic solvents. bp 264 - 270°C (733 mm Hg).
Handling Safety Availability
Current uses Applications
GC Retention time
- Note
- Store at room temperature.
- Standard sample supplied. - Harmful.
- Antioxidant. - General use.
- 26.9 min.
- Mixture of 2-(main) and 3-(minor) isomers.
101
0 0 0
ln z
0 0 0 - m
* 9 8 w
0
0 N
9
F r
0
0 -+ 9
m c
0
0 \D Ln N
9
0
0
N m
9 m
0 9 0 0 0
0 - 0 0
0
3 0 VI c-4 * .
Y
..
102
CAS NO. 25013-16-5 PM Ref. No. 40720
tert-BUTYL-4-HYDROXYANISOLE (BHA)
Peak wavenumber 420,5 491,9 582,6 615,4 682,9 773,6 816,O 856,5 914,4 929,8 1020,5 1034,O 1074s 1 136,2 1 1 99,9 1226,9 1252,O 1280,9 13463 1358,l 1365,8 1392,8 1415,9 1452,6 1469,9 1487,3 1508,5 1632,O 1713,O 1851,9 2050,6 2453,8 2542,5 2698,7 2775,9 28413 2866,6 2914,8 2953,4 3003,5 3030,5 3130,9 33913
% T 70,5 50,5 75,l 86,3 58,l 23,5 20,l 32,8 413 773 23,9 16,7 46,5 38,5
11,2 29,5 26,8 34,O 33,2 25,8 353 10,4 27,2 16,6 31 ,O 10,o 80,5 54,6 77,8 84,l 89,2 88,l 87,O 89,9 47,6 33,4 27,O 14,4 313 66,4 88,8 9 3
4,o
Relative intensity 30,7 51,6 25,9 14,3 43,7 79,7 83,3 70,O 61,2 23,7 793 86,8 557 64,l 100,o 92,5 733 76,3 68,8 69,6 773 67,2 93,4 759 86,9 71,9 93,8 20,3 473 23,l 16,6 11,3 12,4 13,5 10,5 54,6 69,4 76,l 89,2 71,4 35,O 11,7 93,9
103
tert-Butyl-4-hydroxyanisole
1
77 91
I I 79
1
50 75 100 125 150
MIZ Ion Intensity (%) MIZ
53 65 77 79 91 105 107 115
6.6 5.9
18.0 9.4
19.2 7.3 7.7 8.5
124 137 138 165 166 180 181
Ion Intensity (%)
7.6 77.8
8.8 100.0
11.3 44.7 5.0
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
104
L
105
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Citric acid, triethyl ester
0 I I
Physical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
- 00077-93-0 - 44640 - None - C12H2007 - 276
- Triethyl citrate
- Slightly yellow liquid, mp 78.5 - 79"C,
- Soluble in alcohol, ether, chloroform. bp 287°C decomposes.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC, PVDC, CA, paper, inks, epoxy polymers.
- 30.6 min.
105 000
84 000
63 000 al 0 c m u u -4
E
5 42 000 c s
21 000
0 000
4000.00 3280.00
Name : CITRIC ACID, TRIETHYL ESTER
PM Nr :44640
2560.00 1840 00
CAS Nr : 0007-93-0
1120.00 400.
cm-'
KBr pellet
CAS NO. 00077-93-0
CITRIC ACID, TRIETHYL ESTER
Peak w aven u m be i 611.5 787.1 862.3 933.7 1026.3 1076.4 1097.6 1115.0 1 192.2 1300.2 1371.6 1446.8 1468.0 1741.9 2909.0 2941.8 2986.2 3497.4
% T 86.8 83.8 72.1 88.6 14.1 47.4 31.2 27.4 2.7 21.9 19.6 46.3 48.3 3.6 68.6 57.1 32.3 58.0
107
PM Ref. No. 44640
qelative intensity 13.6 16.6 28.7 11.7 88.3 54.1 70.8 74.7 100.0 80.3 82.6 55.2 53.2 99.2 32.3 44.1 69.6 43.2
108
100 -
80 -
Citric acid, triethyl ester
I I I
- 43. 2 0 -
87, 1 1 1 139
45 69 102 139
50 1 0 0 150
MIZ
27 29 42 43 56 60 69 84 87 111
Ion Intensity (%)
5.6 32.0 5.9
21.6 3.1 3.2 4.0 3.1 6.4 5.6
203 I
200
MIZ
115 129 130 139 157 158 203 204 213 23 1
Ion Intensity (%)
33.9 6.3 3.3 3.2
100.0 7.9
23.6 2.1 1.6 0.4
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 25-500
109
110
Dibenzothiazyl disulphide
CAS No. PM Ref. No. Restrictions Formula Molecular weight
- 00120-78-5 - 46400 - None - C,,H,N*S, - 332
Alternative names - 2,2'-Dithiobis[benzothiazole]
Physical Characteristics - Pale yellow powder, mp 177 - 180°C. - Soluble in dichloromethane, benzene,
chloroform, acetone.
Handling Safety Availability
Current uses Applications
GC Retention time
- Store at room temperature.
- Standard sample was supplied.
- Accelerator, stabilizer. - Rubber, PVC.
- Degradation product 2-Mercaptobenzothiazole 53.9 min.
111
'---
0 0 0
m 0
0 0 0
u3 co
- 'g
8 -t
0 0
0 c F
0
0 -t
9
?
0 0
0 0 m cu
0
0
N m
9 m
0 0
0 0 s 8
2 0
..
112
CAS NO. 00120-78-5 PM Ref. No. 46400
DI B ENZOTH I AZY L DIS U LPH I DE
Peak wavenumbel 407.0 434.0 534.4 584.5 671.3 402.2 725.3 758.1 850.7 945.2 956.8 1005.0 1020.5 1080.3 1120.8 1 157.4 1238.5 1275.1 1311.8 1429.4 1454.5 1468.0 1560.6 1589.5 1801.7 1919.4 2853.1 2922.5 3051.8 3063.3 3372.0
% T 76.0 72.9 94.2 89.7 64.9 65.2 41.5 23.6 84.0 78.1 76.2 22.4 69.5 74.9 90.2 80.9 64.4 76.8 64.3 20.8 47.5 20.2 81.9 86.4 88.9 89.1 88.4 82.6 84.2 79.3 91 .o
qelative intensity 30.1 34.0 7.2 12.9 44.0 43.7 73.3 95.8 20.1 27.4 29.9 97.3 38.2 31.5 12.3 24.0 44.7 29.1 44.8 99.3 65.8 100.0 22.7 17.1 13.9 13.6 14.6 21.9 19.8 25.9 11.3
113
Dibenzothiazyl disulphide
MIZ
41 43 57 58 69 71 82 97 108 122
Ion Intensity (%)
11.7 100.0 22.1 30.7 20.2 11.0 9.2
11.0 18.4 11.0
MIZ
135 136 150 165 166 167 181 300 332
Ion Intensity (%)
46.0 21.5 20.9 36.8 11.7 30.7 9.2
10.4 3 .O
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
114
2 0 - -
2-Mercaptobenzothiazole
69.
63 1q9
4 5 I 8 1 91 7 6 lo& l?3
loo 1 I
3,9 I 50 58 I t
70 103 122 135 140 ' r-
I 7 6 84
MIZ Ion Intensity (%) MIZ
45 63 64 69 83 91 96 108
9.1 14.2 11.7 21.5 11.1 9.8
11.3 13.4
109 123 135 140 167 168 169
Ion Intensity (%)
15.8 11.4 4.4 5.6
100.0 9.8 8.5
Spectrometer : Finnigan Mat S S Q 700 Inletsystem : Capillary GUMS Source Temperature : 180 O C Electron Energy : 70 eV Scan Range : 40-500
115
f
116
2,6-Di-tert-butyl-p-cresol
OH
CAS No. - 00128-37-0 PM Ref. No. - 46640 Restrictions - SML = 3.0 mglkg Formula - C,,H*,O Molecular weight - 220
Alternative names - Butylated hydroxytoluene (BHT)
Phvsical Characteristics - White crystalline solid, mp 69-70°C, bp 265°C. - Soluble in most organic solvents.
Handling Safetv Availability
Current uses Applications
- Store at room temperature.
- Standard sample supplied. - H ~ ~ n f u l .
- Antioxidant. - General use.
GC Retention time - 27.8 min.
117
IS====-
\
0 0 0
Ln
0
0 0 0
m m
0 0 0
r. m
0 0 0
a 0 0 - P r. Ln
a s u e ~ q r w s u e ~ i %
- ? 'E $ 0
0 0
0
2 c
0 0
0 T m -
0 0
0 ID Ln N
0 0
0
N m m
0 0
0 0 0
0 - r 0 0
0 N
118
CAS NO. 00128-37-0
2,6-DI-TERT-BUTY L-pCRESOL( BHT)
Peak waven u m be 418.6 468.8 580.6 61 9.2 769.7 812.1 866.1 887.4 1026.3 1 120.7 1151.6 1199.9 1213.4 1230.7 1306.0 1361.9 1396.6 1433.3 2733.5 2872.4 2916.7 2955.3 3067.2 3626.6
% T 77.3 82.2 78.1 91.1 49.3 85.1 44.2 78.9 79.9 55.8 35.8 54.6 45.9 42.9 73.9 55.8 58.6 33.06 90.31 36.65 32.64 23.96 81.31 43.99
PM Ref. No. 46640
qelative intensity 29.9 23.4 28.8 11.7 66.6 19.7 73.4 27.8 26.5 58.1 84.4 59.5 71.2 75.0 34.4 58.2 54.5 88.0 12.7 83.3 88.6 100.0 24.6 73.7
119
205 100 -
80 -
60 -
40 -
20 - 5 1 145
- 4 1 ' 1 7 7
r r I I I I , I I I
50 1 0 0 1 5 0 2 0 0
2,6-Di-tert-butyl-p-cresol
2 2 0 1
LO 6
I ' 1 I 1 1
MIZ Ion Intensity ( %) MIZ Ion Intensity (%)
41 57 77 91 105 115 133 145
8.4 10.7 4.5 7.0 6.6 6.3 5.2 9.8
161 4.1 177 7.5 189 4.0 205 100.0 206 13.2 220 27.3 22 1 4.0
Spectrometer : Finnigan Mat S S Q 700 Inletsystem : Capillary GUMS Source Temperature : 180 O C Electron Energy : 70 eV Scan Range : 40-500
0 46640 CAS no U 00 128-37-0
Name 2,6-DI-TERT-BUTYL-p-CRESOL (BHT) Solvent CD
16: SW 23t NS 32
121
3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt
I t e r t . Butyl,
t e r t . Buty i
2 + Ca
2
CAS No. - 65140-91-2 PM Ref. No. - 46880 Restrictions - SML = 6.0 mg/kg Formula - C,,H,,O,P,Ca Molecular weight - 694
Alternative names
Phvsical Characteristics - White crystalline powder, mp > 260°C. - Soluble in most organic solvents.
Handling Safety Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - Polyolefins, rubber, paper.
GC Retention time
122
I
- 9 'E = : o v
0 0
0 N
7 c
0 0
0 -r
z
0 0
0 a Ln N
0 0
0
N m m
0 0
0 0 0
0 - 4 - 0 0
0
123
CAS NO. 65140-91-2 PM Ref. No. 46880
3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONlC ACID, MONOETHYL, Ca SALT
Peak wave n u m be 414.8 436.0 476.5 518.9 574.9 617.3 638.5 733.0 767.8 779.3 800.6 848.8 881.6 891.2 958.7 1045.6 1101.5 1 130.4 1 159.4 1 170.9 1213.4 1232.7 1273.2 1313.7 1361.9 1390.9 1435.2 2874.3 2910.9 2959.2 3644.0
% T 91.6 80.1 78.3 37.8 78.0 92.2 64.9 90.8 81.6 69.2 54.9 70.0 71.1 77.1 48.0 6.9 67.8 47.20 17.83 13.73 51.92 50.00 79.23 75.52 72.15 75.1 1 35.93 65.30 54.12 31.17 54.20
qelative intensity 9.0
21.4 23.3 66.8 23.6 8.4 37.7 9.9 19.8 33.1 48.5 32.2 31 .O 24.6 55.9 100.0 34.6 56.7 88.3 92.7 51.7 53.7 22.3 26.3 29.9 26.7 68.8 37.3 49.3 73.9 49.2
124
30 -
3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt
90 - "
2,l9 1 I i l
-., , , , , : , , , , , 500
- 1 7
600
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
40 41 43 45 55 56 57 73 147 161
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
21.3 65.3 18.7 33.3 25.3 34.0 24.7 10.0 25.3 12.7
: VG Autospec : Probe inlet
: 70 eV : 350-400°C
: 40-1000
203 219 229 257 285 3 14 34 1 342 356 357
33.3 54.7 20.7 34.7 34.7 15.3
100.0 21.3 82.0 30.7
3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLPHOSPHONIC
16384
65 140-91-2 ACID, ETHYLESTER, Ca SALT
8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5
( P P d
i
126
0 OH
CAS No. PM Ref. No. Restrictions Formula Molecular weight
- 00131-56-6 - 48640 - SML = 6.0 mg/kg
- 214 - C,3H,oO3
Alternative names - Benzoresorcinol
Physical Characteristics - White powder, mp 144.5 - - Soluble in alcohol, benzene, ether,
glacial acetic acid.
Handling Safety Availability
Current uses Applications
GC Retention time
- Store at room temperature.
- Standard sample was supplied.
- UV-stabilizer - Polyolefins.
- 39.5 min.
127
- 9 'E -T
0 0
0
N -
0
0 9
2 *
0
0 a Ln N
9
0
0
N m
9 m
0 0
3
2
3
B z
128
CAS NO. 00131-56-6
2,4-DIHYDROXYBENZOPHENONE
Peak wavenumber 412.8 428.3 464.9 517.0 532.4 590.3 628.9 700.3 731.1 742.7 752.3 783.2 814.1 850.7 862.3 914.4 937.5 949.1 980.0 1034.0 1078.3 11 22.7 1167.1 1178.7 1221.1 1280.9 1321.4 1360.0 1446.8 1491.2 1562.5 1599.2 1630.1 1894.3 1965.7 2536.7 2594.6 2720.0 2764.3 2837.6 2883.9 2920.6 2965.0 3024.8 3063.3 3119.3 3152.1 3970.0
oh T ._ . 65.8 55.8 65.8 61 .l 72.5 55.9 20.3 15.5 54.6 45.5 41 .O 26.2 75.7 41.6 40.4 45.2 75.3 81.3 47.0 72.0 62.3 13.9 15.7 16.6 12.7 3.1 4.1 15.6 16.7 9.3 14.3 13.5 5.4 85.9 83.4 88.4 84.5 79.2 80.7 70.5 63.0 58.3 53.0 43.7 34.5 26.0 19.9 89.6
PM Ref. No. 48640
Relative intensity 35.3 45.6 35.3 40.2 28.3 45.5 82.2 87.2 46.9 56.3 60.9 76.1 25.1 60.3 61.5 56.6 25.5 19.3 54.7 28.9 38.9 88.8 87.0 86.0 90.1 100.0 98.9 87.1 86.0 93.6 88.4 89.2 97.7 14.6 17.1 11.9 16.0 21.5 19.9 30.4 38.2 43.1 48.5 58.1 67.6 76.4 82.7 10.8
129
2,4-Dihydroxybenzophenone
2 1
1
MI2 Ion Intensity (%)
51 16.7 53 9.4 69 8.4 77 32.2 81 10.5 105 15.7
M/Z Ion Intensity ( W )
137 91.9 138 6.2 213 100.0 214 78.9 215 10.5
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range 40-500
130
131
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Handling Safety Availability
Current uses Applications
GC Retention time
4,4'-Dihy droxybenzophenone
0 II
Physical Characteristics
- 00611-99-4 - 48720 - SML = 6.0 mg/kg - C,,H,OO, - 214
- Methanone, bis(4-hydroxyphenyl)
- Yellow powder, mp 213 - 215"C, bp 350°C. - Soluble in most organic solvents.
- Store at room temperature. - Irritant. - Standard sample.was supplied.
- UV-stabilizer. - General use.
- 43.7 min.
132
- 9 'a s : o 0
0 0
0 N
c c
0
0 T
9
cn c
0
0 rc1 Ln N
9
0 0
0
N m m
0 9 0 0 0
0 - 0
0
0 0 0
F 0 N
0 0
N T
0 0 0 0 0
ln
8 8 0
m ID
T m 0
a3uej jywsueJl x
2 Y V
CAS NO. 00611-99-4
4,4-DIHYDROXYBENZOP. iENOF
Peak wavenumber 41 8.6 513.1 582.6 634.7 671.3 686.7 731.1 771.6 814.1 854.6 929.8 970.3 1010.8 1115.0 1151.6 1 165.2 1178.7 1244.2 1269.3 1286.7 1317.5 1388.9 1446.8 1508.5 1574.1 1595.3 1628.1 1929.1 2442.2 2573.4 2667.9 2789.4 2885.9 2930.2 3024.8 31 63.6 3339.2
% T 71.4 58.7 31.9 67.5 70.1 57.7 72.9 43.9 78.5 40.9 48.4 67.1 82.7 47.0 21 .o 14.4 57.0 8.1 19.7 21.6 15.8 60.3 26.9 43.5 15.6 11.9 29.2 89.4 82.4 78.7 75.1 70.2 66.1 59.9 49.2 31 .O 24.9
133
PM Ref. No. 48720
E
Relative intensity 31.2 44.9 74.0 35.3 32.5 46.1 29.4 61.1 23.3 64.3 56.1 35.8 18.8 57.6 86.0 93.1 46.7 100.0 87.3 85.3 91.6 43.2 79.6 61.4 91.9 95.9 77.0 11.5 19.2 23.2 27.1 32.4 36.8 43.6 55.3 75.0 81.7
134
i 53 I
9
4,4'-Dihydroxybenzophenone
1
50 100
MIZ Ion Intensity (%)
50 4.6 53 9.5 63 20.3 64 8.8 65 55.3 93 29.8
,: ,, , , , I!;, ,, , , ,i;,, 19; ,
1131 5 1 9 164 I186 '198
1 5 0 200
MIZ Ion Intensity (%)
121 100.0 128 6.7 157 5.2 185 5.2 214 22.3 215 3.1
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range 40-500
135
-
i
136
Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) and
Mono-n-octyltin tris(2-ethylhexyl mercaptoacetate)
CAS No. PM Ref. No. Restrictions
Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
I 72H5 0 II
C8HI7-Sn S-CH2-C-O-CH2-CH-C4H9 t
GC Retention time
2
- 15571-58-1 and 27107-89-7 - 50320 and 67680 - SML = 0.02 mg/kg for all
di-n-octyltin derivatives. - SML = 1.2 mg/kg for all
mono-n-octyltin derivatives. - C,6H720,S2Sn and C,,H,,O,S,Sn - 750.7 and 840.7
- Viscous colourless liquid, mp C O'C,
- Soluble in toluene, hexane, tetrahydrofuran. bp >250°C.
- Store at room temperature. - Irritant. - Liquid preparation containing
PM Ref. No. 50320 and 67680.
- Stabilizer. - PVC.
- Octyl thioglycolate 25.4 min.
137
- 9 'E 8 0 w
0 0
, o N 7
0 0
o w
m
0 0
0 a ln N
0 o 0
N m co
0 0
I I I I I I I l
t; cz z
138
CAS NO. 15571-58-1 and 27107-89-1 PM Ref. No. 50320 and 67680
DI-N-OCPILTIN BIS(2-ETHYLHEXYLMERCAPTOACETATE) + MONO-N-OCTYLTIN TRIS(2-ETHYLHEXYLMERCAPTOACETATE)
Peak wavenumbei 434.0 464.9
11 30.4 1182.5
1290.5 1400.5
1460.3
1730.4
2855.0
2926.4
2961 .I
% T 86.5
87.6
73.6
70.7
60.8 90.3
74.1
56.0
36.6
44.1
58.3
ielative intensity 21.3
19.6
41.6 46.2
61.8
15.3 40.9
65.8
69.4
100.0
88.2
139
Mono-n-octyltin tris(2-ethylhexyl mercaptoacetate)
Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) and
M/Z Ion Intensity (%) M/Z Ion Intensity (%)
27 29 41 42 43 55 56 57 69 70
21.4 31.9 62.5 29.3 31.1 53 .O 43.7
100.0 27.4 52.0
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 25-1000
71 83 84 112 549 637 639 640 64 1 643
73.2 23.5 18.9 23.4 23.8 21 .o 34.9 21.2 28.1 23.5
140
100 -
80 -
-
60 -
Octyl thioglycolate
43
8 3 I
9 f j 82-
7 5 ,
I I
4 0 60
113 r
1 4 5
MIZ Ion Intensity (5%) MIZ Ion Intensity (%)
41 42 43 47 55 56 57 69
41.8 10.6 68.8 23.3 28.4 10.8
100.0 9.2
70 22.2 71 64.2 83 8.7 84 3.7 92 5.3 112 15.7 113 9.0
Spectrometer : Finnigan Mat S S Q 700 Inletsystem : Capillary GUMS Source Temperature : 180 O C Electron Energy : 70 eV Scan Range : 40-700
142
CAS No. PM Ref. No. Restrictions
Formula Molecular weight
Di-n-octyltin bis(isoocty1 mercaptoacetate) and
Mono-n-octyltin tris(isoocty1 mercaptoacetate)
0 II
0 C8H17 I1 I
I C8H17-0-C-CHZ-S-Sn-S-CH~-C-O-C~H17
C8H17
0
3
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 26401-97-8 and 26401-86-5 - 50480 and 67760 - SML = 0.02 mg/kg for all
di-n-octyltin derivatives. - SML = 1.2 mg/kg for all
mono-n-octyltin derivatives. - C,,H,,O,S,Sn and C,,H,,0,S3Sn - 750.7 and 840.7
- Viscous colourless liquid, mp <O"C,
- Soluble in toluene, hexane, tetrahydrofuran. bp > 250°C.
- Store at room temperature. - Irritant. - Liquid preparation containing
Pm Ref. No. 50480 and 67760.
- Stabilizer. - PVC.
- Isomers of octyl thioglycolate cluster 24.6 - 26.4 min.
cm-'
Name : DI- N-OCTYLTIN BIS( ISOOCTYLMERCAFTOACETATE) + MONO-N-OCTYLTIN TRIS( ISOOCTYLMERCAFTOACETATE)
PMNr :=o+ CAS Nr :26401-97-8 / 26401-86-5 KBr pellet 67760
c P w
144
CAS NO. 26401-97-8 and 26401-86-5 PM Ref. No. 50480 and 67760
DI-N-OCTYLTIN BIS(ISOOCTYLMERCAPT0ACETATE) + MONO-N-OCTYLTIN TRIS( ISOOCTYLMERCAPTOACETATE)
Peak wavenum bei 443.7
455.3
470.7 484.2
679.0
991.5
1070.6
1122.7
1047.8
1 184.4
1292.5
4367.7
1381.2
1466.1 1541.3
1578.0 1709.1
1437.2
2855.0
2928.3 2959.2
3856.2
3454.9
% T 92.0
89.1 91.7
91.3 89.5
83.1
90.1
65.6
59.3
61.4
55.6
87.5
80.4
64.7 87.5
88.4
58.4
53.6
45.8
22.9 28.3
90.7
90.7
ielative intensity 86.0
14.1 10.8 11.3
13.6
21.9
12.8
44.6
52.8
50.1
57.6
16.2 25.4
45.8 16.2
15.0
54.0
60.2
70.3
100.0
93.0
12.1
12.1
145
100- 71
43
Di-n-octyltin bis(isoocty1 mercaptoacetate) and
Mono-n-octyltin tris(isoocty1 mercaptoacetate)
639 637 y M 1
M /Z Ion Intensity (X)
41 42 43 47 55 56 57 58 69 70
27.5 9.3
69.0 12.0 35.8 20.4 54.5 22.7 41.4 23.6
MIZ
71 83 84 85 92 97 112 113 149 639
Ion Intensity (%)
100.0 23.0 26.8 11.8 9.1
12.5 23.6 22.1 13.9 10.3
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 25-1000
146
Isomers of octyl thioglycolate
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 42 43 47 55 56 57 69
51.3 10.9 60.8 30.3 57.7 33.3
100.0 36.6
70 10.2 71 71.1 75 12.9 83 14.3 84 31.7 112 15.7 113 10.9
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range 40-700
26401-97-8 DI-n-OCTYLTIN BIS(ISOOCTYLMERCAPT0ACETATE) Solvent CDCL, MONO-n-OCTYLTIN TRIS(ISOOCTYLMERCAPT0ACETATE)
16384
, , , , I r n
8.5 8.0 7.5 7.0- 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
( p p m )
148
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
N,N’-Diphenylthiourea
- 00102-08-9 - 51680 - SML = 3.0 mglkg - C,,HlZNZS - 228
- Thiocarbanilide
Physical Characteristics - White crystalline powder, mp 152 - 155°C. - Soluble in alcohol, ether, chloroform.
Handling Safety Availability
Current uses Applications
- Store at room temperature. - Toxic. - Standard sample was supplied.
- Vulcanizing, stabilizer. - PVC, PVDC, rubber.
GC Retention time - Degradation products 11.8, 19.1, 33.3 min.
149
0 0 0
N 01
0 0 0
m Ln
0 0 0
u3 u3
0 0 0
0 b
a m q q r e s u e d l x
0 0
u3 m c c
0
N Ln
9
m c
0 0
u3 Ln N
m
0
0 0 0
0 - 0 0
0 - 9
..
150
CAS NO. 00102-08-9
N , N ' D I P H E NY LTH I0 U R E A
Peak wavenumber 418,6 486,l 61 1,5 630,8 644,3 698,3 758,l 933,7 1003, I 1024,3 1070,6 1 136,2 1172,9 1223,O 1244,2 1294,4 131 5,6 1344,6 1495,O 1529,7 1551,O 15913 1599,2 2905,2 3013,2 3036,3 31 25,l 3206,l
O h T 71,9 75,l 79,7 53,7 6 1 3 20,8 53,9 76,3 78,8 74,O 73,l 83,5 76,O 65,5 60,4 50,4 53,4 38,8 62,l 48,6 43,6 70,5 62,7 86,5 59,l 57,l 67,8 40,8
PM Ref. No. 51680
Relative intensity 35.5 31,4 25,6 58,5 48,6 100,o 58,2 29,9 26,8 32,8 34,O 20,8 30,3 43,6 50,O 62,6 58,9 77,3 47,9 64,9 71,2 37,3 47,l 17,l 51,7 54,2 40,7 74,8
151
N, N’-Diphenylthiourea
I5
30
15
10
15
10
65
60
55
50
I S
4 0
77
l.lE6
8.5ES
5 . 7 1 5
2.815
O.OEO
M/Z
50 51 58 63 64 65 66 67 76 77
Ion Intensity (%)
12.3 33.1 9.2 7.4 8.0 16
20.9 6.1 8.6
73.6
M/Z
78 91 92 93 94 135 136 194 195 228
Ion Intensity (%)
6.1 17.8 10.4
100.0 7.4
63.8 10.4 82.2 15.3 19.0
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
152
Degradation product
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 3.8 45 3.1 46 7.2 51 3.4 63 3.6 65 14.8
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
66 27.2 92 11.2 93 100.0 94 7.0 95 0.4
153
Degradation product
7
51,
1 67
35
ji
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
50 8.0 51 21.1 67 7.7 74 3.2 75 3.2 76 3.7 77 59.9
78 3.6 91 3.7 103 1.5 135 100.0 136 9.3 137 4.4
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
154
8 9%
100
80
60
40
2 0
97 1 92_ ' lo> 148 129 135 154 1$6 179
I I , , , , , , , I f I I, I
MIZ Ion Intensity (%) MIZ Ion Intensity ( %)
Degradation product
-r
91 I
51 17.7 63 4.6 64 5.7 76 5.1 77 36.5 91 23.1
97 6.0 118 3.7 193 6.3 194 100.0 195 15.0 196 0.6
Spectrometer Inletsystem : Capillary G U M S Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-500
155
1 y a
!
156
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safetv Availability
Current uses Applications
GC Retention time
Dodecylbenzenesulphonic acid
- 27176-87-0 - 52000 - SML = 30 mglkg - C,,H,,O,S - 326
- Laurylbenzenesulfonic acid
- Viscous brownish liquid, mp 10°C, bp 315°C. - Soluble in water, alcohol, ether.
- Store at room temperature. - Hygroscopic. - Standard sample was supplied.
- Antistatic agent, emulsifier. - General use.
- Current use as Dodecylbenzene sulphonic acid, Na-salt.
157
s
I J
- X B 0 -t
0
0 9
2 -
0 0
0 cr z
0
0 \D
9
%
0 0
0
N m m
0 0
0 0 0
0 - 0 0
0 0 0 8 8 0
0 0 0 0
0 0 0
.. z 3
G Y
158
CAS NO. 27176-87-0 PM Ref. No. 52000
DODECYLBENZENE SULPHONIC ACID
Peak wavenumber 420,5 584,5 1008,9 1037,8 1 130,4 1172,9
2926,4 2957,2 32 13,8 3250,5 3372,O
Yo T 81,8 84,9 72,3 73,5 63,8 61,9 53,5 71,2 89,3 86,2 73,O
Relative intensity 39,l 32,5 59,6 57,O 77,9 82,O 100,o 61,9 23,O 29,7 58,l
10
27 176-87-0 DODECYLBENZENE SULPHONIC ACID
163 84 SW 4000
160
Erucamide
0
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 00112-84-5 - 52720 - None
- Cis- 13-docosenoamide
- White flakes or beads, mp 75 - 80°C,
- Soluble in isopropanol, slightly in alcohol, bp decomposes.
acetone.
- Store at room temperature.
- Standard sample was supplied.
- Slip and anti-blocking agent. - PVC, polyolefins.
- 50.4 min.
161
0 0 0
In 0 c
0
8 w W
0 0 0
m L n
0 0 0
N *
- 0 g *g w
0 0
0 N
c 7
0 0
0 -? m c
0 0
0 u3 ln N
0 0
0
N m rn
0 0
0 0 0
0 - 0 0
0
162
CAS NO. 00112-84-5
ERUCAMIDE
Peak wavenumbe 412.8 451.4 522.8 545.9 648.2 721.5 804.4 81 6.0 11 18.9 1205.7 1215.3 1246.2 1273.2 1302.1 1325.3 1344.6 141 9.8 1469.9 1645.5 2849.2 2918.7 301 1.3 3186.8 3312.2 3393.2
O/o T 85.0 93.3 92.6 88.3 45.1 62.8 78.1 73.7 68.8 86.3 79.7 77.5 86.6 76.9 84.6 89.4 38.5 32.1 1 12.38 10.09 6.89 58.54 40.44 69.92 24.47
PM Ref. No. 52720
Relative intensity 16.1 7.2 7.9 12.5 59.0 39.9 23.5 28.2 33.5 14.7 21.8 24.2 14.4 24.8 16.6 11.3 66.1 72.9 94.1 96.6 100.0 44.5 64.0 32.3 81.1
163
Erucamide
1 0 0
60
40
20
7 2 I
9 1
2 9 4 320
5 0 100 150 200 2 5 0 300
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 42 43 44 55 56 57 59 60 67
49.8 10.3 42.5 29.2 59.6 12.0 20.0
100.0 10.4 14.1
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
69 72 81 83 86 114 126 320 337 338
24.7 51.9 11.0 13.0 7.3 6.2 7.5 1.3 3.7 0.9
164
165
C2H5 C2H50
NH-C-C-NH
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 23949-66-8 - 53200 - SML = 30 mg/kg - C,,H,ON*O, - 312
- 2-ethoxy-2’-ethyl-oxalic acid-bis anilide
- White to slightly yellow powder, mp 124 -127”C, bp > 400°C.
- Soluble in acetone, chloroform, dichloromethane.
- Store at room temperature.
- Standard sample was supplied.
- UV-stabilizer. - PVC, PMMA, PE.
- 48.1 min.
166
0
n a
.I
.. i
CAS NO. 23949-66-8
2- ETHOX'
Peak wavenumber 414,8 430,2 459,l 480,3 507,3 524,7 540,l 572,9 702,2 721,5 754,3 785,l 816,O 881,6 929,8 1049,4 1105,4 1122,7 1167,l 1 184,4 1217,2 1259,7 1288,6 1325,3 1369,6 1392,8 1454,5 1471,9 1493,l 151 6,2 1587,6 1601,l 1668,6 2870,4 2932,2 2965,O 3065,3 3281,3
167
PM Ref. No. 53200
2'-ETHY LOXANl Ll DE
O/o T 87,l 87,6 68,O 76,l 85,2 848 61,3 82,7 38,6 34,6 23,l 82,7 64,O 73,8 66,l 42,5 70,l 38,4 73,4 88,l 54,O 21,5 43,2 55,5 69,8 41,5 10,8 24,4 24,6 10,4 42,6 40,2 92 67,9 66,4 54,2 88,l 24,2
Re1 at ive intensity 14,2 13,7 35,2 26,3 16,3 16,7 42,6 19,o 67,6 72,O 84,7 19,o 39,6 28,8 37,3 63,3 32,9 67,8 29,3 13,l 50,6 86,4 62,5 49,O 33,3 64,4 98,2 83,2 83,O 98,6 63,2 65,8 100,o 35,3 37,O 50,4 13,l 83,5
168
2-Ethoxy-2' -ethyloxanilide
1 0 0
80
60
40
2 0
1
I
5 0 1 0 0
148
3 12-
I ;Ii ,16$$5;, "1, , , , , , , 2 3 7 , , , 2_49 , , 1(, 267 , , , , 2 8 3 , , , ,
150 z o o 2 5 0 360
MIZ Ion Intensity (%) M/Z
29 65 77 79 80 106 108 109
12.8 9.5
13.0 10.9 18.6 15.7 26.3 17.4
120 121 136 137 138 148 3 12 313
Ion Intensity (%)
14.2 12.0 26.6
100.0 10.5 14.0 32.1 5.5
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 25-450
169
170
Ethylbenzene
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safetv Availability
Current uses Applications
GC Retention time
- 00100-41-4 - 53255 - SML = 0.6 mglkg - C*H,o - 106
- Ethylbenzol
- Colourless liquid, mp -95"C, bp 136°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied. - Harmful.
- Solvent. - PS.
- 8.3 min.
171
0 q.
8
N 0
7
0 0
0 d
5
0 0
0 L n ul N
0 0
0
N m m
0 0
t
.-l
0 0 . . 2
3
172
CAS NO. 00100-41-4
ETHY LBENZENE
Peak wavenumber
412,8
428,3
455,3
468,8
486,l
555,6
696,4
746,5
771,6
1062,9
1375,4
1454,5
1496,9
1605,O
2874,3
2934,l
2966,9
3028,6
3065,3
Yo T
89,6
76,4
91,4
88,2
78,8
77,8
28,8
55,3
74,7
91,9
91,2
49,8
53,l
79,3
65,6
52,8
32,3
53,l
70,7
PM Ref. No. 53255
Relative intensity
14,6
33,2
12,l
16,6
29,8
31,2
100,o
62,8
35,5
11,4
12,4
70,5
65,9
29,l
48,3
66,3
95,l
65,9
41,2
173
Ethylbenzene
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
50 51 52 63 65 74 77 78 79
3.1 9.9 3.1 2.9 6.8 1.1 7.9 6.2 3.3
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-500
89 91 92 103 104 105 106 107
2.0 100.0
6.8 3.0 0.9 5.0
35.1 2.4
174
175
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
N,N’-Ethylenebisstearamide
Physical Characteristics
Handling Safetv Availability
Current uses Amlications
2
- 00110-30-5 - 53520 - None - C,*H,,NZOZ - 592
- Bisstearoylethylenediamine
- Slightly yellow powder, mp 144 - 146°C. - Not soluble.
- Store at room temperature.
- Standard sample was supplied.
- Antistatic agent, lubricant, release agent. - General use.
GC Retention time
176
0 0 0
u l 0 7
5- 3
J I I I I I I I I
0 0 0
v m
- 9 ‘g 0 z
0 0
0 N
c -
0 0
0
m 9- .--
0
0 L n Ln N
9
0
0
N D
9 m
3 3
3 3 0
0 - 0 0
0
z
c
CAS NO. 00110-30-5
N,N'-ETHYLENEBISSTEARAMIDE
177
PM Ref. No. 53520
Peak wavenumbei 436.0
584.5 526.9 679.0
702.2 717.6 1225.0
1250.0 131 5.6
1331 .O 1381.2
1425.6 1471.9
1456.7 1639.7 2849.2 2916.7 2957.2 3074.9 3209.9 3300.6
% T 90.7
82.5 87.9
75.3 79.4
64.8
80.1
72.1 86.2
84.5
74.9
61.5 36.4
25.1 13.4 10.9 4.9 36.7 75.6 82.7 17.0
Relative intensity 9.8
18.4 12.7 26.0
21.7 37.0 20.9
29.3
14.5
16.3
26.4
40.5 66.9
78.8 91 .I 93.7 100.0 66.6 25.7 18.2 87.3
178
N, N’-Ethylenebisstearamide
%.a.
so
80
70
60
60
40
30
20
10
0- T
0
309 I 28; , 368
i [ 340 ; 608
100 200 300 400 500
MIZ Ion Intensity (%)
43 44 55 57 73 85 86 144 28 1 282
30.0 32.7 9.3
16.7 12.0 13.3 12.7 11.3 14.0 10.0
600 800 900 M i ,
MIZ
309 310 340 368 536 537 564 565 592 593
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
Ion Intensity (%)
18.0 12.7 10.0 13.3 45.3 16.0
100.0 34.7 56.7 22.0
(g-) (7) 001 10-30-5
i
y ;j 16384
-
I
7.0 6.5 6.0 5 . 5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1 . 0 0.5 (
(PPm)
180
Ethyleneglycol bis(3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate)
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safetv Availability
Current uses Applications
PH I
ter t . Butyl 4 1 I I OH I
- 32509-66-3 - 53670 - SML = 6.0 mglkg
- 794 - C,,H45O*
- Slightly yellow crystalline powder, mp 169°C. - Soluble in acetone, methanol, chloroform.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - PP, PE
GC Retention time
181
0 0 0
o\ m
0 0 0
0 0 0
0 0 0
d 7
- ?'a p
0 0
0
N 7
0 0
0 d
z
0 0
0 \D ln N
0 0
0 m N m
0 0
0 0 0
0 - 0 0
m N
182
CAS NO. 32509-66-3 PM Ref. No. 53670
ETHYLENE GLYCOL BIS(3,3-BIS(3-TERT-BUTYL-4-HYDROXYPHENYL) BUTYRATE)
Peak wavenumbe 410.9 499.6 563.3 650.1 817.9 891.2 983.8 1022.4 1086.1
1 153.6 1203.7 1259.7 1292.5 1336.8 1365.8 1408.2 1462.2 1485.4 1508.5 1720.7 2868.5 2912.9 2959.2 3198.4 3451.1
% T 86.3 86.8 91.9 79.3 48.5 84.4 88.0 88.0 36.9 38.9 32.0 39.8 56.9 54.7 45.6 38.2 63.4 62.51 40.29 39.99 58.21 51.12 31.32 85.84
48.25
3elative intensity 19.9 19.2 11.8 30.2 74.9 22.7 17.5 17.4 91.9 89.0 99.0 87.7 62.8 66.0 79.2 90.0 53.4 54.6 86.9 87.4 60.8 71.2 100.0 20.6
75.3
183
Ethyleneglycol bis(3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate)
35.
30.
115.
on.
15.
10.
65
KO.
5 5
50
MJZ
41 43 55 57 69 70 73 77
Ion Intensity (%)
44.3 88.5 33.6 47.7 16.4 12.4 23.2 17.2
MJZ
91 107 119 121 135 325 326
Ion Intensity (%)
15.3 15.0 42.6 13.9 18.1
100.0 24.0
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
ETHYLENEGLYCOL BIS (3,3-BIS (3-TERT-BUTYL-4- HMROXYPHENYL) BUTYRATE)
I
16384 SW 3125 NS
185
2-Ethslhexanoic acid
0
CAS No. - 00149-57-5 PM Ref. No. - 54120 Restrictions - None Formula - C,H,,O, Molecular weight - 144
Alternative names - 2-Ethylcaproic acid
Physical Characteristics - Coulourless liquid, mp -59"C, bp 228°C. - Soluble in water, alcohol, ether.
Handling Safetv Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Stabilizer. - PVC.
GC Retention time - 17.4 min.
- Note - Current use as calcium- or zinc salt.
186
7
I c
0 0 0
m z
0 0 0
w m
0 0 0
\D m
0 0 0
D 0 0
Fl m
- 0 0 8 0 T
0 0
0
N c
0 0
0 w
m
0 0
0 \D m N
0
0
N m
9 m
0 9
.. _ .
CAS NO. 00149-57-5
2-ETHYLHEXANOIC ACID
Peak wavenum be 414.8 439.8 945.2 1205.7 1228.8 1273.2 1383.1 141 5.9 1462.2 1709.1 2638.9 2862.7 2876.3 2936.0 2965.0
% T 87.5 87.5 82.3 82.3 68.9 74.3 85.2 78.7 66.6 20.5 88.1 57.3 55.4 39.9 37.5
187
PM Ref. No. 54120
Relative intensity 15.7 15.7 22.3 22.3 39.1 32.4 18.6 26.8 42.0 100.0 15.0 53.7 56.1 75.6 78.6
188
M/Z
27 29 39 41 42 43 55 57
Spectrometer Inletsystem
2-Ethylhexanoic acid
57
60
8
83 I +
80
Ion Intensity (%)
10.6 9.9
10.5 27.9 4.7
15.0 18.2 26.2
101 116 I I
I;, , 9;; lj;02 ,;]I,, , ~ , ;fP, , , , , I , , , , , i r
100 120 140
: Finnigan Mat SSQ 700 : Capillary GUMS
M/Z
73 87 88 89 101 115 116 129
Ion Intensity (%)
87.3 20.2
100.0 4.4
14.5 8.7
15.2 0.5
Source Temperature : 180°C Electron Energy : 70 eV Scan Range : 25-400
189
190
Gallic acid, propyl ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
OH
- 00121-79-9 - 55360 - SML = 30 mg/kg as gallic acid
- 212 - ClOHl*O,
- Benzoic acid, 3,4,5-trihydroxy-, propyl ester
- White crystalline powder, mp 150°C. - Soluble in alcohol, ether, water.
- Store at room temperature.
- Standard sample was supplied. - Hannful.
- Antioxidant. - Polyolefins.
- 38.3 min.
191
m
0 0 0
In 52
0 0 0
w m
0 0 0
N
0 0 0
N - 0 0 0
0 7 m
J3UEJ$IUSUPJl
- : '3 0 d
8 0 N 7 -
0 0
0 .t
?
0 0
0 \D ln N
8
w 0
m
8 0 0 0
0 - 0 0
0
c3 w
192
CAS NO. 00121-79-9 PM Ref. No. 55360
GALLIC ACID, PROPYL ESTER
Peak wavenumber 420,5 459,l 536,3 644,3 731,l 746,5 771,6 868,i 910,5 925,9 978,O 995,4 1035,9 1099,6 1 1 97,9 1244,2 1315,6 1340,7 1385,l 1408,2 1468,O 1541,3 1618,5 1693,7 2685,2 2880,i 2939,9 2968,8 3071,l 3107,7 3323,8 3468,4 3503,2
O/o T 70,3 85,4 59,O 4a,4 58,2 33,7 42,O 53,7 78,4 79,l 41,6 31,3 10,3 56,8 7,O
5,3 18,8 20,9 16,l 26,i 27,l 14,6
9,4 84,7 60,5 58,l 42,5 73,l 70,O 16,l 10,6 14,7
7,o
Relative intensity 31,4 15,4 43,3 54,5 44,l 70,O 61,2 48,9 22,8 22,l 61,7 72,5 94,7 45,6 98,2 98,2 100,o 85,7 83,5 883 78,O 77,O 90,2 95,7 16,2 41,7 44,2 60,7 28,4 31,7 88,6 94,4 90,l
193
Gallic acid, propyl ester
125
MJZ Ion Intensity (X)
41 9.8 43 6.7 51 7.4 58 25.8 79 9.8 125 15.3 126 6.1
5 . 7 1 6
5.516
5.2P6
4.9E6
4 . 6 9 6
1.3E6
4.0E6
3.1E6
3 .416
3.2E6
M/Z
153 154 167 170 184 212 213
Ion Intensity (%)
100.0 11.0 7.4
70.6 6.1
35.0 5.5
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
194
I
195
CAS No. PM Ref. No. Restrictions Formula Molecular weight
0 CH2-O-C~CH>CH=CHfCH2>CH3 li I 7 7
CH-OH
CH2-OH I
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
Glycerol monooleate
- 25496-72-4 - 56960 - None - ~*lH,O, - 356
- Glycerol, l-mono(9-octadecenoate)
- Yellow liquid, mp 25"C, bp 238 - 240°C. - Soluble in hexane, benzene, alcohol, ether.
- Store at room temperature.
- Standard sample supplied.
- Lubricant. - General use.
GC Retention time
196
0 0 0
Ln
0
0 0 0
a m
- 9 'a 8 u q.
0 0
0 N - c
0 0
D q.
2
0 0
0 a L n
N
0 0
0
N (1
m
0 0
0 0 0
0 - 0 0
0 v
E v1 c U
CAS NO. 25496-72-4
GLYCEROL MONOOLEATE
Peak wavenumbei 441.8 723.4 1053.3 1118.9 1174.8 1246.2 1379.3 141 9.8 1466.1 1741.9 2855.0 2926.4 3007.4 3192.6 3289.0 3372.0
% T 87.9 90.0 85.9
68.0 80.9 81.4 86.3 69.9 44.6 35.8 18.1 80.6 89.3 77.8 70.2
84.6
197
PM Ref. No. 56960
3elative intensity 14.7 12.2 17.2 18.8 39.1 23.3 22.7 16.7 36.7 67.7 78.4 100.0 23.7 13.0 27.1 36.4
198
9
9
8
8
7
7
6
6
5
5
4
4
3
3
2
2
1
1
40 -
Glycerol monooleate
PMS 69 60 €6.4E5
69
-
129 I
MIZ Ion Intensity (%)
43 55 56 57 69 71 81 83 96 97
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
56.4 100.0 25.6 60.4 61.6 23.5 47.8 40.4 28.0 39.8
6.1E5
5.7E.5
5.4E.5
5.1E.5
4. BE5
4.5E5
4.2E5
3.8E5
3.5E5
3.2E.5
2.9E5
2.6E5
2.2E5
1.9E5
1.6E5
1,365
9.6E4
6.4E4
MIZ Ion Intensity (%)
98 109 111 112 129 137 213 264 264 339
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
56.5 18.0 20.2 21 .o 34.9 15.0 10.7 29.4 18.2 16.7
199
200
Glycerol monostearate
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safetv Availability
Current uses Apulications
GC Retention time
- Note
CH-OH I
- 31566-31-1 - 57520 - None - C,,H4,04 - 358
- Glycerol, l-monooctadecanoate
- White micro beads, mp approx. 69°C. - Soluble in alcohol, hexane, ether.
- Store at room temperature. - Low toxicity. - Standard sample supplied.
- Lubricant. - General use.
- 46.5 and 49.6 min.
- Also known as PM Ref. No. 18115.
20 1
m
0 0 0
ln z
0 0 0
d m
0 0 0
Ln m
0 0 0
N c
0 0 0
0
- 9 'a 0
%- 0 0
0 0
0 N
c F
0
0 v 9
2
0 0
0 Ln ln N
0
0
N m
9 m
0 0
3
d
W
202
CAS NO. 31566-31-1 PM Ref. No. 57520
GLYCEROL MONOSTEARATE
Peak wavenumbei 434.0 582.6 632.7 661.7 721.5 943.3 991.5 1047.5 1062.9 1 105.4 1180.6 1 196.0 1215.3 1236.5 1255.8 1267.4 1275.1 1292.5 1331 .O 1394.7 1417.9 1469.9 1730.4 2851 .I 291 6.7 3246.6
% T 93.4 91.3 84.3 80.2 52.6 67.4 62.5 35.3 46.9 48.6 19.0 31.8 46.9 57.0 53.6 61.6 60.3 61.70 69.71 47.65 51.38 27.25 12.92 6.64 2.67 31.54
Relative intensity 6.8 9.0 16.1 20.3 48.7 33.5 38.6 66.5 54.5 52.8 83.2 70.1 54.5 44.2 47.7 39.5 40.8 39.3 31.1 53.8 50.0 74.7 89.5 95.9 100.0 70.3
203
Glycerol monostearate
:jl 85
112 I"
3.7E5
3.5E5
3.3E5
3,185
2.9ES
2.785
2.5E5
2.335
2.1ES
1.9E5
1. BE5
1.6E5
1.4E5
1.2E5
9.7E4
MJZ
43 44 55 57 69 71 73 74 84 95
Ion Intensity (%)
100.0 11.1 62.0 79.3 29.0 30.8 23.6 35.6 40.4 14.7
MIZ
97 98 99 111 112 116 129 134 239 267
Ion Intensity ( %)
24.7 76.2 12.0 20.4
23.87 17.9 37.2 27.5 15.4 19.7
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
204
IC
41-
c
c
t
205
Glycerol triacetate
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
- 00102-76-1 - 57760 - None - C,H,,Ob- - 218
- Triacetin
- Colourless liquid, mp -78"C, bp 258 - 260°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Lubricant, carrier. - General use.
GC Retention time - 22.9 min.
206
'.:"-;- 0
0 q.
9
Do
0 0
0 L n Ln N
3
CAS NO. 00102-76-1
GLYCEROL TRIACETATE
Peak wavenumbei 416.7 430.2 457.2 605.7 688.7 748.5 844.9 962.6 1018.5 1051.3 1101.5 1221.1 1373.5 1439.1 1477.7 1684.1 1743.9 2843.4 2901.3 3476.2
Yo T 84.6 70.8 75.3 66.8 82.7 87.7 76.4 68.9 43.7 19.1 61.2 1.8
21.1 69.0 85.2 43.3 3.9 81.5 75.2 88.9
207
PM Ref. No. 57760
lelative intensity 15.7 29.8 25.2 33.9 17.7 12.5 24.1 31.7 57.3 82.5 39.6 100.0 80.4 31.6 15.1 57.7 97.9 18.9 25.2 11.3
208
100 -
8 0 -
60 -
40 -
20 -
Glycerol triacetate
I I II 15 6f 7 ? 86 9 8
I I
14?
1+6
y Y8
MIZ Ion Intensity (%) MIZ
27 29 42 43 44 56 57 61
1.1 73 1.4 74 2.9 86
100.0 103 3.8 115 0.9 116 1.4 145 1.9 146
Ion Intensity (%)
2.6 2.2 3.5
15.8 4.6 6.7
11.8 0.7
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 25-250
209
4
210
1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide)
t e r t . Butyl 0 II
HO+ CH2-CH2-C-NHfCH2f ?
t e r t . Butyl
2
CAS No. - 23128-74-7 PM Ref. No. - 59120 Restrictions - SML = 45 mg/kg Formula - C40H,N*O4 Molecular weight - 637
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
- N,N'-hexamethylene bis(3,5-di-tert-butyl- 4-hydroxy-hydrocinnamide
- White crystalline powder, mp 156 - 161 "C. - Soluble in acetone, methanol, chloroform.
- Store at room temperature.
- Standard sample was supplied. - Harmful.
- Antioxidant. - PA, PVA, PBT, polyesters, polyacetals.
GC Retention time
21 1
3 .. 0 0 n
m m
0
8 m b
c)
8 r. m
212
CAS NO. 23128-74-7 PM Ref. No. 59120
1,6-H EXAMETHY LEN E 81 S( 3-( 3,5-DI-tert-BUTY L-4- HY D ROXY PH E NY L) P ROP ION AM I D E)
Peak wavenumber 410,9 468,8 493,8 569,l 603,8 621,2 661,7 704,l 769,7 806,3 875,8 889,3 1026,3 1120,8 1 1553 1180,6 1215,3 1234,6 1259,7 1290,5 1302,l 1321,4 1358,l 1390,9 1435,2 1454,5 1564,5 1620,4 1632,O 1657,l 2860,8 2932,2 2957,2 3096,l 3283,2 3570,7
Yo T 85,2 91,3 72,2 89,9 87,8 88,7 87,3 83,3 78,l 87,3 78,l 83,3 89,3 52,2 69,2 66,8 49,6 44,2 63,l 754 72,4 75,7 52,4 71,9 37,l 50,5 359 29,O 28,9 47,7 54,8 36,5 34,7 77,4 453 72,l
Relative intensity 20,8 12,2 39,l 14,2 17,2 15,9 17,9 23,5 30,8 17,9 30,8 23,5 150 67,2 43,3 46,7 70,9 78,5 51,9 34,6 38,8 34,2 66,9 393 88,4 69,6 90,l 99,8 100,o 73,5 63,6 89,3 91,8 31,8 76,6 39,2
213
85
no
15
10
65
60
55
50
45
40
35
30
25
20
15
10
5
0
-
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 43 44 55 57 69 83 85 98 100
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
35.0 100.0 18.4 21.5 39.3 22.1 16.0 14.1 12.9 18.4
109 123 149 203 219 259 321 580 636 637
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
11.0 14.1 11.7 14.7 14.1 11.0 11.7 19.6 38.0 17.2
!2 P
23 128-14-1 1,6-HEXAMETHYLENE BIS(3-(3,5-DI-TERT-BLJTYL- 4-HYDROXY PHENYL)PROPIONAMIDE)
r
[- 16384
215
CAS No. PM Ref. No. Restrictions Formula Molecular weight
t e r t . Butyl
t e r t . Butyl
2
Alternative names
Phvsical Characteristics
Handling Safetv Availability
Current uses Applications
- 35074-77-2 - 59200 - SML = 6.0 mg/kg - ‘40H62’6 - 639
- Benzenepropanoic acid, 3,5-bis( 1, l-di-methyl- ethyl)-4-hydroxy- 1,6-hexanediyl ester
- White crystalline powder, mp 104 - 108°C. - Soluble in benzene, chloroform, ethyl acetate.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - Polyacetals.
GC Retention time - 73.8 min.
216
c_
-I--
I "- '
i i
--
I=) 0 n
m m
0 0
i- m
n
n 0
c % x n N
..
217
CAS NO. 35074-77-2 PM Ref. No. 59200
1,6-HEXAMETHYLENE BIS(3-(3,5-DI-tert-BUTYL-4- HYDR0XYPHENYL)PROPlONATE)
Peak wavenum ber 414,8 495,8 767 8 802,5 871,9 889,3 981,9 1028,2 1066,8 1122,7 1167,l 1205,7 1234,6 131 3,7 1369,6 1392,8 1437,l 1471,9 1732,3 2868,5 2916,7 2959,2 3464,6 3640,l
Yo T 85,l 89,4 75,9 88,O 68,4 79,4 72,O 81,8 81,3 57,7 23,3 38,l 41,2
48,9 46,9 62,2 33,2 55,O 23,4 49,3 42,7 22,4 80,9 53,6
Relative intensity 19,2 13,7 31,l 155 40,7 26,6 36,l 23,5 24,l 543 98,9 79,8
75,8 65,9 68,4 48,7 86,l 58,O
98,7 65,4 73,9 100,o 24,6 59,8
218
95
90
ns
no
75
10
65
60
55
50
45
10
35
30
25
20
15
10
5
0
-
I
8 3
M/Z
41 43 55 57 83 147 163 189 203 219
145
I
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
360
470
5
Ion Intensity (%) MIZ Ion Intensity (%)
59.5 71.8 71.8
100.0 39.9 60.1 40.5 33.7 82.2 92.0
259 260 305 322 378 470 526 638 639 640
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
42.9 33.7 49.7 54.8 54.6 55.2 42.9 62.6 31.1 7.5
35074-77-2 1,6-HEXAMETHYLENE BIS(3-(3,5-DI-TERT- BUTYL-4-HYDROXYPHENYL) PROPIONATE I
r 'F yj 16384
220
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safetv Availability
Current uses Applications
GC Retention time
4-Hydroxybenzoic acid, methyl ester
OH I
- 00099-76-3 - 60200 - None - C,H*O, - 152
- Methylparaben
- White needles, mp 131"C,
- Soluble in alcohol, acetone, ether. bp 270 - 280°C decomposes.
- Store at room temperature.
- Standard sample was supplied.
- Preservative. - Antioxidant, paper.
- 25.7 min.
22 1
0 0 0
o w 0
0
0 0 0
Ln 0 N
0 0 0
0 ul
0 0 0
Ln b
0 0 0
0 0
0 0 0
Ln N
222
CAS NO. 00099-76-3 PM Ref. No. 60200
4-HYDROXYBENZOIC ACID METHYL ESTER
Peak wavenumbe 420.5 497.7 509.3 61 7.3 638.5 671.3 698.3 771.6 850.7 956.8 1008.9 1 107.3 1 1 18.9 1 163.2 1194.1 1234.6 1279.0 131 5.6 1379.3 1435.2 1514.3 1589.5 1606.9 1680.2 2459.5 2459.5 2515.5 2681.4 281 0.6 2899.4 2965.0 3034.4 3078.8 31 94.5 3292.9
% T 74.4 74.6 67.7 50.2 58.6 54.4 39.2 26.6 39.3 43.6 74.1 27.6 27.1 9.4 21.6 6.8 1.7 6.1
47.0 14.5 17.5 7.6 8.7 5.0 85.2 85.2 86.1 80.8 78.1 77.0 56.2 63.5 64.5 37.2 15.1
qelative intensity 26.1 25.8 32.8 50.7 42.1 46.4 61.8 74.7 61.8 57.3 26.4 73.6 74.2 92.2 79.8 94.8 100.0 95.5 53.9 87.0 83.9 94.0 92.9 96.7 15.0 15.0 14.2 19.6 22.3 23.4 44.6 37.1 36.2 63.9 86.4
223
65 9? I
6 3
5; 6 2 1 1 67 77 ,.&O 9% 9 5 10,7 125 I
4-Hydroxybenzoic acid, methyl ester
1+3 1 5%
M/Z Ion Intensity (%) M/Z Ion Intensity (%)
38 39 50 53 62 63 64 65 66
2.2 10.1 1.2 2.2 1.7 4.5 2.3
15.3 1.5
92 93 94 121 122 123 151 152 153
1.6 17.8 1.1
100.0 7.3 1 .o 2.0
41.0 3.16
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 25-450
N N P
00099-76-3 4-HYDROXYBENZOIC ACID, METHYL ESTER
16384 SW 3125 NS 32
225
2-(2-Hydroxy-3,5-bis( 1,l-dimethylbenzy1)phenyl) benzotriazole
I I
CH3-C-CH3
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
- 70321-86-7 - 60320 - SML = 1.5 mg/kg
- 447 - C,,H*,N,O
- 2-(2H-benzotriazol-2-yl)-4,6-bis( l-methyl- 1 -phenylethyl)phenol
- Slightly yellow powder, mp 137 - 141 "C. - Soluble in benzene, chloroform, dichloro-
methane.
- Store at room temperature.
- Standard sample was supplied.
- UV-stabilizer. - PC, polyesters.
- 60.3 min.
226
P \
0
8 N 0,
- o &
0 0 -t
0 0
0 r. 7 -.
0 cj
P rn - - -
0 0
CI a
P
0 0
0
m w
0 0
0 n 0
0 P
ii; 3
). E 2 X
n * r
CAS NO. 70321-86-7
227
PM Ref. No. 60320
2-(2-HYDROXY-3,5-BIS(l,l- DIMETHYLBEN2YL)PHENYL)BENZOTRIAZOLE
Peak wavenumber 410,9 445,6 538,2 580,6 613,4 626,9 652,O 671,3 702,2 750,4 767,8 796,7 852,6 870,O 887,4 976,l 1030,l 1074,5 1 103,4 1126,6 1 145,9 1 186,4 1215,3 1253,9 1304,O 1348,4 1387,O 1402,4 1425,6 1435,2 1495,O 1599,2 2916,7 2965,O 301 9,0 3055,6
% T 85,7 84,2 87,6 82,2 88,5 88,7 86,5 75,6 43,9 51,7 65,5 77,6 88,4 85,8 82,6 89,9 81 ,O 88,2
86,6 82,6 83,7 73,7 75,O 73,3 78,3 82,9 80,4 78,3 60,3 64,8 81,l 80,2 62,5 80,6 78,8
a4,5
Relative intensity 25,5 28,2 22,i 31,7 20,5 20,l 24,l 43,5 100,o 86,l 61,5 39,9 20,7 25,3 31,O 18,O 33,9 21 ,o 27,6 23,9 31 ,O 29,O 46,9 44,6 47,6 38,7 30,5 34,9 38,7 70,7 62,7 33,7 35,3 66,8 34,6 37,8
228
2-(2-Hydroxy-3,5-bis( 1 , l -dimethylbenzyl)phenyl)benzotriazole
MIZ
41 65 77 91 92 103 105 119
432
ll,,!i!,!);i;l,!l,, , , , 1 1 , , , , I , , , , ' I ; ! , , , , , I , 1.2 8 17.8 2p8 252 328 37,O
100 200 300 400
Ion Intensity (%)
14.6 3.3 6.7
49.1 20.3 18.1 5.7
49.3
M/Z
120 342 356 432 433 447 448 449
Ion Intensity (%)
6.4 29.9 17.2
100.0 25.1 90.7 23.5 2.5
Spectrometer Inletsystem : Capillary G U M S Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 35-500
2-(2-HYDROXY-3,5-BIS( 1,l -DMETHYLBENZYL) PHENYL ) BENZOTRIAZOLE
i 16384
SW 3125 NS
/---
230
CAS No. - 03896-11-5 PM Ref. No. - 60400 Restrictions - SML = 30 mg/kg with other
benzotriazole derivatives Formula - C,,H&lN,O Molecular weight - 315.5
Alternative names - 2-(3’-tert-Butyl-2’-hydroxy-5’-methylphenol)- 5-chlorobenzotriazole
Phvsical Characteristics - Slightly yellow powder, mp 138 - 141°C. - Soluble in benzene, toluene, cyclohexane.
Handling Safety Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- UV-stabilizer. - General use.
GC Retention time - 47.2 min.
23 1
0 0 0
a m
..
232
CAS NO. 03896-11-5 PM Ref. No. 60400
2-(2-HY DROXY-3-tert-BUTY L-5-METHYLPHENYL)-5- CHLORO -2-BENZOTRIAZOLE
Peak wavenumber 422.5 4473 474,6 540,l 565,2 598,O 640,4 669,4 719,5 754,3 785,l 806,3 846,9 858,4 873,9 935,6 945,2 1008,9 1026,3 1049,4 1 103,4 I 136,2 1215,3 1240,4 1261,6 1292,5 1317,5 1348,4 1392,8 1448,7 1485,4 1504,7 1560,6 1601,l 1620,4 2424,8 2619,7 2702,6 2868,5 2C18,7 2961,l 2993,9
Yo T 57,3 71,9 90,l 91,8 80,5 69,6 83,9 78,O 24,4 61,5 60,9 19,7 36,9 42,8 48,9 50,6 35,9 84,O 72,3 24,7 66,l 59,7 25,5 22,3 46,8 31,9 62,6 43,8 48,8 27,l 39,3 54,5 60,l 65,2 79,8 91 ,o 86,6 84,3 48,5 39,2 26,4 45,3
Relative intensity 53.2 35,O 12,3 10,2 24,3 37,8 20,o 27,4 94,l 47,9 48,7 100,o 78,6 71,2 63,6 613 79,8 19,9 34,5 93,7 42,2 50,2 92,8 96,7 66,2 84,8 46,6 70,O 63,7 90,8 75,6 56,6 49,7 43,3 25,l 11,2 16,7 19,5 64,l 75,7 91,6 68,l
233
91 I
77
41 65 I lq5 ~
: I 9 e 5 ? 1 1 1 I Ill 1 1 1 1
1;9
272
126
274 7
' 147
1 4 5 ' 1,612 175 194 207 I/ I I I 230 I l l ' 1 1 1 1 I I 1 I I I
300
3 15
I
MIZ Ion Intensity (%) M/Z
41 53 65 77 91 105 117 119 126
10.1 3.5 6.0
10.6 15.9 7.8 8.3
24.8 11.1
272 274 300 301 302 3 15 316 3 17 318
Ion Intensity (%)
21.7 8.7
100.0 18.9 31.7 54.0 10.6 18.6 2.9
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 35-400
234
235
l-(2-Hydroxyethyl)-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid,
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Auulications
dimethyl ester, copolymer
GC Retention time
- 65447-77-0 - 60800 - SML = 30 mg/kg Specifications to be added. - [C31H54N*091" - 1500- 5000
- Butanedionic acid, polymer with 4-hydroxy- 2,2,6,6-tertamethyl- 1 -piperidheethanol
- Slightly yellow powder, mp 100 - 120°C. - Soluble in benzene, chloroform, toluene,
dichloromethane.
- Store at room temperature. - Harmful. - Standard sample was supplied.
- UV-stabilizer. - EVA, PP, PE.
- Also known as CAS No. 70198-29-7, and PM Ref. No. 81215. and 91150.
236
- x ,g 0 c-
0
0 9
2 7
0
0 q.
9
9
0 0
0 \D ln N
0 0
0
N m m
0 0
Y
237
CAS NO. 65447-77-0 PM Ref. No. 60800
1 - (2-HY D ROXY ETHY L)-4-H Y D ROXY -2,2,6,6- TETRAMETHYLPIPERIDINE-SUCCINIC ACID, DIMETHYL
ESTER, COPOLYMER (M.W.1500-5000)
Peak wavenumber 445,6 474,6 493,8 563,3 665,5 758,l 839,i 877,7 920,2
956,8 981,9 999,3 1028,2 1 1 16,9 1 1 55,5 1257,7 1317,5 1365,8 1385,l 1468,O 1732,3 2945,7 3453,O
Yo T 90,6 92,O 87,7 753 87,8 88,8
74,8 87,l 88,4 65,5 63,9 62,7 70,8 69,9 54,5 57,9 61,9 57,2 58,4 63,6 48,5 48,8 72,8
Relative intensity 18,3 15,5 23,9 47,6 23,7 2i,8
49,O 25,l 22,5 67,O 70,i 72,5 56,7 58,5 88,4 81,8 74,O 83,2 80,8 70,7 100,o 99,5 52,8
238
I
239
2-Hydroxy-4-methoxybenzophenone
CAS No. PM Ref. No. Restrictions Formula Molecular weight
- 00131-57-7 - 61360 - SML = 6.0 mg/kg
Alternative names - Oxybenzone
Physical Characteristics - White crystalline powder, mp 63 - 65"C,
- Soluble in most organic solvents. bp 150 - 160°C (5 ~lltn Hg).
Handling Safety Availability
Current uses Applications
GC Retention time
- Store at room temperature.
- Standard sample was supplied.
- UV-stabilizer - General use.
- 38.2 min.
240
0 0 0
ln 0 c
0 0 0
ID m
- :B N - 0
ID m
9
c 7
0 0
N ln
m
0 0
ID ln N
m
0 0
v N m m
0 0
0 0 0
0 - 0 0
0 -
c)
I I a
k
CAS NO. 00131-57-7
24 1
PM Ref. No. 61360
2-HYDROXY-4-METHOXYBENZOPHENONE
Peak waven u m ber 461 .O 532.4 599.9 682.9 698.3 708.0 733.0 750.4 789.0 817.9 914.4 945.2 964.5 1026.3 1074.5 1 1 13.1 1 163.2 1178.7 1205.7 1225.0 1259.7 1304.0 1348.4 1381.2 1435.2 1444.9 1489.2 1506.6 1574.1 1595.3 1633.9 2947.6 2995.8 3017.0 3061.4
% T 69.2 69.0 43.0 43.1 36.0 28.0 58.4 40.2 41.6 29.0 34.5 51.7 51.5 34.6 40.6 30.3 37.4 38.8 27.3 21.7 15.0 43.3 23.4 30.6 30.5 29.5 43.0 31.1 23.7 17.5 85.8 84.4 84.4 85.6 89.0
Relative intensity 36.2 36.4 67.1 66.9 75.3 84.8 48.9 70.4 68.8 83.5 77.0 56.8 57.1 76.9 69.9 82.0 73.6 72.0 85.5 92.1 100.0 66.7 90.1 81.7 81.8 83.0 67.0 81 .O 89.8 97.0 16.7 18.3 18.4 17.0 12.9
242
2-Hy drox~-4-methox~benzouhenone
7
1
105
97 I I
22
MIZ Ion Intensity (%) MIZ
41 50 51 52 53 77 79 95
3.8 8.1
27.2 11.3 8.1
52.9 9.0
15.5
105 108 128 151 152 227 228 229
Ion Intensity (%)
21.3 19.2 9.2
92.5 8.3
100.0 68.8 8.8
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
243
4
244
CAS No. PM Ref. No. Restrictions
Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
02440-22-4 61440 SML = 30 mg/kg with other benzotriazole derivatives
225 C13HllN30
Light yellow crystalline powder, mp 128 - 132°C. Soluble in benzene, toluene, acetone, chloroform.
Store at room temperature.
Standard sample was supplied.
UV-absorber. General use.
38.9 min.
245
0 0 0
u? 0 ..-
0 0 0
m m
0
0 0 *
0 0
0
N -
0 0
0 P- m 7
0 0
0 \o u? N
0 0
0
N m m
0 0
0 0 0
o w 0 0
0 N
cl
Y 9)
9) a I I
& M
246
CAS NO. 02440-22-4
24 2-HY DROXY-5-METHYLPHENYL)BENZOTRlAZOLE
Peak wavenumbe 439.8 472.6 561.4 580.6 628.9 661.7 688.7 713.8 748.5 769.7 800.6 817.9 873.9 897.0 922.1 939.5 953.0 974.2 991.5 1039.8 1070.6 1132.4 1145.9 1211.4 1223.0 1252.0 1275.1 1304.0 1338.8 1348.4 1392.8 1421.7 1446.8 1473.8 1514.3 1564.5 1578.0 1599.2 1628.1 1738.1 1799.8 1880.8 2858.9 2922.5 3024.8 3065.3 3096.1
% T 75.3 54.9 63.3 72.0 62.0 43.0 36.6 69.4 23.4 54.4 45.9 36.9 71.6 62.2 74.9 78.7 75.8 54.8 83.1 78.8 68.7 47.3 62.8 26.6 33.6 29.7 64.5 39.0 50.9 62.6 62.2 57.9 61.2 60.3 26.1 68.3 80.2 52.8 07.8 90.9 90.4 91 .o 88.2 80.1 75.5 68.3 69.5
telative intensity 32.3 58.8 47.9 36.5 49.6 74.4 82.8 40.0 100.0 59.6 70.6 82.4 37.1 49.3 32.8 27.8 31.7 59.0 22.1 27.6 40.8 68.8 48.6 95.9 86.8 91.8 46.4 79.6 64.1 48.8 49.3 55.0 50.7 51.8 96.5 41.4 25.8 61.6 15.9 11.9 12.5 11.7 15.3 26.0 32.0 41.4 39.8
PM Ref. No. 61440
247
100 -
80 -
60 -
4 0 -
20 -
.
2 2)
93
1 6 8 2 0 7 6?
39 5 1
1 1 7 8 1;4 ' 19; ' 2 2 4
208 7
2 7 5 0 !4 7; 7 9 94 113 GO 1411 167 1?2 r / I 1 1 1 , 1 I , I / 8 8 I , . , , I / , I , ,I , / , / , I . I , , I ,
50 1 0 0 1 5 0 200
1
M/Z Ion Intensity ( 7 % ) M/Z Ion Intensity (%)
39 9.1 51 8.3 65 12.8 66 14.7 93 21.5
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 25-300
154 7.6 168 9.0 225 100.0 226 14.4 227 1 .o
24 8
249
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
2-Hydroxy-4-n-oct yloxybenzophenone
OH x I
acxL 0-
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 01843-05-6 - 61600 - SML = 6.0 mglkg - C2,H2603 - 326
- Octabenzone Methanone, (2-hydroxy-4-(octyloxy)-phenyl) phenyl-
- Pale yellow powder, mp 45 - 46°C. - Soluble in alcohol, benzene.
- Store at room temperature.
- Standard sample was supplied.
- UV-stabilizer. - General use.
- 50.3 min.
250
I I I I I I I I
0 0 8 0 0 0
0 0 0 0
0 0 0 0 0
s
0 0 0
0 -
f I /
i
- z g 0 - 0 0
0 z -
0
0 v 9
2
0 0
0 L n
Ll N
0 0
0
N r-l
m
0 0
Y a, 1 a, a
B
$ a E
d . .
B z
CAS NO. 01843-05-6
2-HYDROXY-4-n-OCTYLOXYBENZOPHENONE
Peak wavenumbe 407.0 464.9 518.9 536.3 603.8 628.9 652.0 698.3 725.3 738.8 781.3 806.3 833.4 854.6 920.2 933.7 978.0 1020.5 1041.7 1074.5
1120.8 1169.0 1197.9 1226.9 1267.4 1352.3 1379.3 1406.3 1419.8 1444.9 1471.9 1496.9
1576.0 1597.3 1630.1 2920.6 2955.3 3055.6
% T 92.5 85.0 94.6 78.0 91.2 51.4 94.8 38.2 87.0 76.5 64.8 54.6 73.2 67.6 72.8 63.9 69.9 69.0 90.3 87.1 51.3 79.9 52.6 51.5 24.2 38.3 52.2 79.5 80.5 73.1 71.3 71.3
42.3 33.8 28.9 42.9 53.2 89.6
telative intensity 9.9 19.8 7.1
29.0 11.7 64.1 6.8 81.5 17.1 31.1 46.4 59.9 35.3 42.8 36.0 47.6 39.8 41.0 12.8 17.1 64.3 26.5 62.6 64.0 100.0 81.5 63.1 27.1 25.7 35.5 37.9
37.8
76.1 87.4 93.9 75.4 61.8 13.7
25 1
PM Ref. No. 61600
100 -
80 -
60 -
1
I I
2-Hydroxy-4-n-octyloxybenzophenone
2
137 I
07 I 18; 1,97
d o
MJZ Ion Intensity (%)
41 43 55 57 69 77 105 107 108 128
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
41.4 38.4 14.9 10.1 6.9
26.5 42.7 7.4 7.0 8.9
I 200
14
325 1
J;, , , , , , , , , , , , 1 , , , , ,I, 2 5 0 300
MJZ Ion Intensity (%)
136 137 185 197 213 214 215 325 326 327
: Finnigan Mat S S Q 700 : Capillary GUMS : 180°C : 70 eV : 40-500
5.6 47.5 6.0 7.0
100.0 41.7 7.3
15.5 31.1 5.8
253
1
254
t e r t
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
Butyl OH HO t e r t . Butyl
- 00088-24-4 - 66400 - SML = 1.5 mg/kg With PM Ref. No. 66480 - C25H3602 - 368
- Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl) methane
- White powder, mp 119 - 122°C. - Soluble in acetone, benzene, alcohol,
chloroform.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - General use.
- 46.4 min.
255
_z
b
I I I I I 1 I I
0 0 0
OI 7
0 0 0
d
0 0 0
m ro
0 0 0
r- h m
a3ueJqysueJl x
0
0 0 .o
0 0
0
N -
0 0
0 d m 7
0 0
0 ro lr N
0 0
0
N m m
0 0
0 0 0
0 - 0 0
Ll m
h d
..
256
CAS NO. 00088-24-4 PM Ref. No. 66400
2,2’-METHY LENEBIS(4-ETHYL-6-TERT-BUTY LPHENOL)
Peak wavenum be 418.6 760.1 798.6 881.6 1147.8 1 178.7 1199.9 1225.0 1252.0
1288.6 1323.3 1363.8 1394.7 1427.5 1458.4 1471.9 2930.2 2961.1 3530.2
% T 71.7 89.5 86.5 71.6 89.4 58.5 71.8 71.2 81.1 86.5 78.7 81.1 89.6 78.6 67.4 61.8 66.5 41.1 40.9
qelative intensity 48.0 17.8 22.9 48.1 17.9 70.2 47.7 48.8 32.0
22.9 36.1
32.1 17.6 36.3 55.1 64.6 56.8 99.7 100.0
257
M/Z Ion Intensity (%)
57 18.6 135 20.5 14 1 14.7 163 41.1 175 58.1 178 68.0
L92 312 I
~, , , , , , , , , , :;6,, , , , , I , , , , , , , , , , , I 200 250 300 3 5 0
M/Z Ion Intensity (%)
191 100.0 192 13.5 256 2.6 3 12 13.6 368 36.2 369 9.3
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 25-400
258
L
L
-7
259
CAS No. PM Ref. No. Restrictions Formula Molecular weight
t e r t . Butyl t e r t . Butyl
CH3
Alternative names
Physical Characteristics
Handling; Safety Availability
Current uses Applications
GC Retention time
- 00119-47-1 - 66480 - SML = 1.5 mg/kg With PM Ref. No. 66400 - C23H3202 - 340
- Di(2-hydroxy-3-tert-butyl-5-methylphenyl) methane
- White powder, mp approx. 125°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - General use.
- 44.9 min.
260
-> P-
0 0 0
c r-
0 C
C m
m ni
0 0
0 c, 0 U
CAS NO. 00119-47-1
26 1
PM Ref. No. 66480
Peak wavenumber 418,6 453,3 474,6 520,8 555,6 582,6 619,2 760,l 775,5 802,5 858,4 868,l 897,O 910,5 927,9 1024,3 11 15,O 1 130,4 1 1 55,5 1 192,2 1232,7 1257,7 1284,8 1306,O 1367,7 1388,9 1400,5 1442,9 1479,6 1597,3 2872,4 2918,7 2957,2 3007,4 3265,9 3393,2 3603,5
% T 86,3 90,6 87,7 90,l 87,O 79,l 87,7 79,8 82,9 78,6 76,l 67,4 88,4 86,4 86,6 87,7 81,8 68,O 71,l 68,3 47,5 72,7 79,8 86,2 70,l 72,9 79, I 49,6 53,3 91,2 67,4 61,4 44,5 81,4 90,6 31,3 43,3
Relative intensity 19,9 13,7 17,9 14,4 18,9 30,4 17,9 29,4 24,9 31,2 34,8 47,5 16,9 19,8 19,5 17,9 26,5 46,6 42,l 46,2 76,4 39,7 29,4 20,I 43,5 39,5 30,4 73,4 68,O 12,8 47,5 56,2 80,8 27,l 13,7
100,o 82,6
262
I
1
7
1
340 1
284 I
2 7 g ,y5 2 2 8 I
I I I1 1 " ~ ~ " " ' 1 " ' ~ " ' ~ ' 1 ~ ~ ' ~ ~ ' ~ '
117
MIZ Ion Intensity (%) M/Z
41 57 91 105 121 127 133 141 149
10.1 15.5 8.4 9.3
20.7 22.3 10.0 13.0 39.5
155 161 162 164 177 178 284 340 34 1
Ion Intensity (%)
18.6 63 .O 10.2 56.2
100.0 14.1 11.2 34.3 7.1
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 35-450
001 19-47-1 2,2'-METHYLENEBIS(4-METHY L-6-TERT-BUTYLPHENOL) k-j 16384
N m w
264
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
S C H 2 -
Handling Safety Availability
Current uses Applications
- 04066-02-8 - 66560 - SML = 3.0 mg/kg With PM Ref. No. 66580 - C*,H,,O, - 392
- Bis(2-hydroxy-3-cyclohexyl-5-methyl- pheny1)methane
- White powder, mp approx. 125°C. - Soluble in acetone, alcohol, ethyl acetate.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - Styrene co-polymers, rubber.
GC Retention time - 56.3 min.
- =
f 7
\
3 0 D
m m
0
0 0 v
0 0
0
2 c
0 0
0 -r 05 -
0 0
0 rc r, N
0 0
0
m R
0 0
0 0 0
0 - 0 0
0 cu
266
CAS NO. 04066-02-8 PM Ref. No. 66560
2,2'-M ETHY LENEBIS(4-METHY L-6- CYCLOHEXYLPHENOL)
Peak wavenum ber 410,9 439,8 468,8 540,l 572,9 605,7 767,8 783,2 852,6 860,4
1 124,6 1 153,6 1188,3 1230,7 1265,5 1358,l 1450,7 1475,7 2853,l 2922,5 3350,8
3491,6
% T 77,7 93,5 91,4 88,7 84,O 81 ,O 88,5 85,4 83,9 78,7 73,2 71,4 53,6 65,6 77,5 82,6 57,7 459 48,2 28,4 63,O 56,l
Relative intensity 31,1
9,1 12,0
15,8 22,3 26,5 16,1
20,4 22,5 29,7
37,4 39,9 64,8 48,0
31,4 24,3 59,1
75,5 72,3 100,0
51,7
61,3
267
2
3 92
MIZ Ion Intensity (%) MIZ
55 91 105 121 133 134 135 147
16.6 8.1
10.2 33.3 21.3 14.1 9.7
16.7
190 191 203 204 310 392 393
L
Ion Intensity (%)
100.0 8.3
93.6 12.9 6.8
60.6 14.8
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 35-500
268
269
Monochlorobenzene
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safetv Availability
Current uses Applications
- 00108-90-7 - 67280 - SML = 36 mg/kg - C,HQ - 112
- Chlorobenzene
- Colourless liquid, mp - 45"C, bp 131 - 132°C. - Soluble in alcohol, benzene, ether, chloroform.
- Store at room temperature. - Harmful. - Standard sample was supplied.
- Solvent. - PC, PSO.
GC Retention time - 7.5 min.
270
0 0 0
rl 0
0 0 0
u3 m
- 0
0 0 w
0 0
0 N - 7
0 0
0 .0
m
0 0
0 \D Ln N
0 0
0
N m m
0 0
0 0 0
0 . 0 0 0
0 c
CAS NO. 00108-90-7
MONOCHLOROBENZENE
Peak wavenumbei 416.7 468.8 61 3.4 684.8 702.2 740.8 902.8 935.6 1003.1 1022.4 1068.7 1084.1 1 122.7 1446.8 1477.7 1583.8 1730.4 1788.2 1863.5 1944.5 3026.7 3071.1
% T 60.5 36.4 93.3 28.2 30.4 17.1 66.7 89.6 66.5 34.8 50.6 27.7 60.8 38.2 19.5 36.0 86.9 85.9 82.3 81.7 82.1 60.3
27 I
PM Ref. No. 67280
qelative intensity 47.7 76.7 8.1 86.6 84.0 100.0 40.1 12.5 40.4 78.6 59.6 87.2 47.3 74.5 97.0 77.1 15.7 17.0 21.4 22.0 21.6 47.8
272
100 -
80 -
6 0 -
40 -
Monochlorobenzene
2 0 -
38 1 4
50
I I 1 I 2 8 :2
7
97
I I I
MIZ Ion Intensity (%) MIZ
37 38 39 49 50 51 56 73 74
3.7 75 8.8 76 2.1 77 2.6 78
21.5 97 21.1 112 4.2 113 3.1 114 7.8 115
Ion Intensity (%)
7.2 4.4
55.1 3.2 0.4
100.0 6.4
30.9 1.9
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 25-500
273
274
l-Octadecanol
CAS No. - 00112-92-5 PM Ref. No. - 68225 Restrictions - None Formula - ~18H380 Molecular weight - 270
Alternative names - Stearyl alcohol
Physical Characteristics - White flakes or granules, mp 56 - 60"C,
- Soluble in most organic solvents. bp 210°C (15 mm Hg).
Handling Safetv Availabilitv
Current uses Applications
GC Retention time
- Store at room temperature.
- Standard sample was supplied.
- Lubricant, - General use.
- 39.7 min.
105 000
I M 0110
63.000 OJ 0 c m
Y - -4 E m
42.000 c
s
21 000
0 000 I
1840.00 1120.00 400.0 4000.00 3280.00 2560.00
cm-'
Name : 1-OCTADECANOL
PM Nr :68225 CAS Nr : 001 12-92-5 KBr pellet
276
CAS NO. 00112-92-5
1 -0ctadecanol
Peak wavenumbe 526.6 572.9
603.8
71 9.5 731.1
968.4
983.8 1005.0
1024.3
1039.7 1062.9
1317.5
1333.0
1363.8
1373.5 1425.6 1464.2 1473.8 2633.2 2849.2 2918.7 2955.3 3233.1
% T 94.6
94.1
87.9 45.1
49.6
84.3
78.1 70.6
63.9
62.0 30.9
88.5
85.6
84.1
81.1
76.9 27.9 32.5 85.9 4.0 2.3
20.7 37.1
PM Ref. No. 68225
3elative intensity 5.5
6.0
12.4 56.2
51.6
16.1
22.4 30.1
36.9
38.9 70.7
11.8
14.7
16.3
19.3
23.6 73.8 69.1 14.4 98.3 100.0 81.2 64.4
277
1 -0ctadecanol
100 -
80 -
6 0 -
40 -
2 0 -
35 7
111
126 139
9 , 1 : , , 'I[ , [, ;,:4,168 ,'", , 1;; , , , 2 f 4 , , , 2)2, , , ,
3 150 200 250
M/Z Ion Intensity (%) M/Z Ion Intensity (%)
41 43 55 56 57 67 68 69 71 82
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
69.2 100.0 93.1 43.7 79.9 12.6 28.2 73.6 34.5 33.4
: Finnigan Mat S S Q 700 : Capillary GUMS : 180°C : 70 eV : 40-500
83 84 85 97 98 111 112 125 224 225
77.9 23.9 18.6 59.0 13.6 32.0 8.7
13.4 1.5 0.7
16384 SW 6494 NS
[E) I") 001 12-92-5 1 -0CTADECANOL
r
279
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
t e r t . Butyl,
t e r t . Buty l
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 02082-79-3 - 68320 - SML = 6.0 mglkg - C35H62O3 - 530
- Benzenepropanoic acid, 3,5-bis( 1, l-dimethyl- ethyl)-Chydroxy-, octadecyl ester
- White powder or flakes, mp 51.5 - 52.5"C. - Soluble in acetone, acetic acid, benzene,
chloroform, hexane.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - General use.
- 61.1 min.
280
I
?-====-
: I t ' '
0 0 0
ln z
f
0 0 0
0 m
0 0 0
ln p'
0 0 0
0 Ln
0 0 0
ln PI
0 0 0
0 m
awe~qysuwl
- 9 'E 4 0 0
0 0
0 w c r
0
9 m m Ln
c
0 0
N b ln N
0 0
Ln
N m m
0 0
Y P) E: k & M
L
b ..
CAS NO. 02082-79-3
28 1
PM Ref. No. 68320
OCTADECYL 3-(3,5-DI-TERT-BUTYL-4-HY DROXYPHENY L) PROPIONATE
Peak wavenumbe 721.5 744.6 771.6 785.1 796.7 875.8 1070.6 1122.7 1 153.6 1 178.7 1236.5 1277.0 1435.2 1469.9 1728.4 2851.1 2918.7 2957.2
Yo T 90.4 91.3 92.5 94.4 94.5 89.1 82.6 71.5 78.7 64.3 81.9 63.0 77.1 74.3 40.7 58.0 43.6 54.73
3elative intensity 16.1 14.7 12.7 9.5 9.3 18.4 29.3 48.1 35.8 60.2 30.5 62.4 38.5 43.3 100.0 70.8 95.1 76.3
100 -
80 -
60 -
40 -
20 -
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
5'
I,
5 3i
Jj;;J12,, ~ ~ ~ * , 1 , , , , , , , , , I , , , , , , , , , I_;,
263 I
0 2 0 0 3 0 0 400 5 0 0
M I Z Ion Intensity (%) MIZ Ion Intensity (%)
43 55 57 69 71 83 97 1 1 1 147 149
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
40.5 30.7
100.0 19.9 14.8 13.7 9.2 3.8
13.4 11.3
: Finnigan Mat S S Q 700 : Capillary GUMS : 180°C : 70 eV 40-600
161 203 207 219 263 278 515 530 53 1 532
9.2 9.7
15.0 29.3 3.2 3.9
10.9 53.8 20.9 3.4
283
t
284
Oleamide
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safetv Availability
Current uses Applications
GC Retention time
- 00301-02-0 - 68960 - None - C,*H,NO - 281
- 9-Octadecenoic acid, amide
- Yellow pearls, mp 76"C, bp decomposes. - Soluble in alcohol, ether, toluene.
- Store at room temperature.
- Standard sample was supplied.
- Antistatic agent, antiblocking agent. - Polyolefins.
- 44.1 min.
285
I 1
i i - - -
W
I I I I I I I
0 0 0
ln 0
0 0 0
u3 m
0 0 0
m N
0 0 0
w
0 0 0
h u3 m
a3ueJJrwsueJl x
- ? 'a
0 0
0 N
c c
0
0 w ?
m
0 0
0 u3 In N
0 0
0
N m m
0 0
0 0 0
o w 0 0
0 7
s Y U
.. s E a
..
286
CAS NO. 00301-02-0
Peak wavenumbei 409.0 493.8
528.6 640.4 702.2 721.5 964.5 1412.1 1425.6 1469.9 1633.9 1659.0 2851.1 2920.6 2957.2 3362.3
OLEAMIDE
% T 90.7 94.9
90.9 77.2 67.3 71.5 69.9 54.4 50.5 45.9 23.4 25.3 24.2 12.6 45.7 30.2
PM Ref. No. 68960
qelative intensity 10.6 5.8 10.4 26.1 37.4 32.6 34.4 52.2 56.7 61.9 87.7 85.4 86.7 100.0 62.1 79.9
287
5 9 1 0 0 -
8 0 -
60 -
40 -
4 1
~ 43 - - _ I
2 0 -
J, I I.//. 50
Oleamide
I
.j
Ion Intensity (%) M/Z Ion Intensity (5%)
30.5 23.4 13.8 31.5
100.0 11.9 10.0 15.2 60.8 8.1
: Finnigan Mat S S Q 700 : Capillary GUMS
98 112 126 140 154 168 184 23 8 264 28 1
7.6 8.7
10.0 3.68 2.8 1.3 2.0 1.7 1.4 2.7
Source Temperature : 180°C Electron Energy : 70 eV Scan Range : 35-500
288
289
Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated)
CAS No. PM Ref. No. Restrictions
Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safetv Availability
Current uses Applications
- 08002-74-2 and 63231-60-7 - 71281 - SML = 3.0 mg/kg for all
hydrogenated products - C"H*"+*
- White crystalline powder, mp 50 - - Soluble in toluene, benzene, chloroform, ether.
- Store below 4°C.
- Standard sample was supplied.
- Lubricant. - PS, PVC, PP, PE.
GC Retention time
290
Y
0 0 0
v m
0 0 0
0
- 0 '8 0 0 -r
0
0 N
9
c c
0 0
0 v m 7
0 0
0 u3 in N
0
0
N m
9 m
0
29 1
CAS NO. 08002-74-2 and 63231-60-7 PM Ref. No. 71281
PARAFFIN WAXES AND HYDROCARBON WAXES MICROCRYSTALLINE
Peak wavenumbed % T I Relative intensitv 719.5 729.2 1464.2 1473.8 2849.2 2916.7 2955.3
50.0
53.7 37.2 40.6 7.7 4.9
29.5
52.6 48.7 66.0 62.5 97.1 100.0 74.1
292
m e 6,
I I
Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated)
- 1 7 , " 1 ' 1 ' I ' ~ " " ' " ~
100 200 300 400 500 600 700 800 PO0 Mil
MIZ Ion Intensity (%)
41 43 55 56 57 69 70 71 83 85
14.7 34.7 18.0 12.7 96.7 19.3 13.3
100.0 18.7 70.0
MIZ
97 99 111 113 127 141 155 169 183 197
Ion Intensity (%)
19.3 28.0 9.3
21.3 16.7 15.3 13.3 14.7 13.3 10.0
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 40-1000
8002-74-2 PARAFFIN WAXES AND HYDROCARBON WAXES MICROCRYSTALLINE 16384
SW 6494 NS
294
Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
CAS No. PM Ref. No. Restrictions Formula Molecular weight
t e r t . Butyl 0
HO*CH2-CH2-C-O-CH2 II
t e r t . Butyl
0
t e r t . Butyl L
H O ~ C H 2 - C H 2 - ? - O - C H 2
t e r t . Butyl
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
- 06683-19-8 - 71680 - None - C73Hl08Ol2 - 1178
-C
4
- Tetrakis(methylene(3,5-di-tert-butyl-4-hydroxy- hydr0cinnate))methane
- White powder, mp 110 - 125°C. - Soluble in acetone, benzene, acetic acid,
chloroform.
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant and heat stabilizer. - General use.
GC Retention time
295
U
0 0 v
0 0
0 N ,-- -
0 i3
0 * ?
0 0
0 \D m ry
0 0
0
0 1 m m
0 0
0 0
= s 8
Y
296
CAS NO. 06683-19-8 PM Ref. No. 71680
PENTAERYTHRITOL TETRAKIS(3-(3,5-DI-tert-BUTYL-4- HYDR0XYPHENYL)PROPIONATE
Peak wavenumber 422,5 453,3 499,6 538,2 572,9 599,9 619,2 771,6
873,9 889,3 931,7 960,7 987,7 1045,6 1 142,O 1215,3 1232,7 1277,O 1317,5 1360,O
1377,3 1388,9 1437,l 1469,9 1740,O 2878,l 2930,2 2963,O 3626,6
'/o T 79,7 89,l 81,9 88,l 87,1
87,6 83,O 79,O 68,O 80,5 80,2 90,l 78,8 71,4 22,8 70,3 59,O 60,4
68,6 66,4 74,4
69,4 47,7
61,2 26,8 72,4 60,2 45,9 49,4
Relative intensity 26,3 14,1
23,5 15,4 16,7 16,1 22,0
27,2 41,5 25,3 25,7 12,8 27,5 37,1
100,0
38,5 53,1
51,3
40,7 433 33,2
39,7 67,8 50,3 94,9 35,8 51,6 70,1
65,6
- Solvent C D C b SF 250.13
;:-I; ] C A S ~ " ] Name 06683-1 9-8 PENTAERYTHRITOL TETRAKIS (3-(3,5-DI-TERT-
BUTYL-4-HYDROXWHENYL) PROPIONATE! SI 16384 SW 3125 NS 16 -
29 8
2-Phenylindole
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 00948-65-2 - 72160 - SML = 15 mg/kg - C,,H,,N - 193
- White powder, mp 188 - 19O"C,
- Soluble in most organic solvents. bp 250°C (10 mm Hg).
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - PVC, PVDC.
- 38.5 min.
299
0
0 0 d
0 0
0
2 7
0 0
0 d
00
0
0 L o In N
9
8 B N m
0 0
0 0 0
0 - t 0 0
m d
0 0 0
h Ln
0 0 0
0 0 0 - rn m \D
0 0 0
m o\
0 0 0
In z a3uelqruisueJl x
3 00
CAS NO. 00948-65-2
2-PHENYLINDOLE
Peak wavenumber 420,5 466,8 509,3 688,7 742,7 763,9 796,7 1300,2 1338,8 1352,3 1402,4 1446,8 1458,4 1481,5 3443,4
O/o T 65,4 93,O 71,5 63,7 49,6 67,7 79,l 81,9 88,2 81,5
78,2 74,3
83,7 i6, l
a5,i
PM Ref. No. 72160
Relative intensity 68,6 13,9 56,5 71,9 99,9 64,O 41,4 35,9 23,4 36,7 29,5 43,2 50,9 32,3 47,4
301
89
13<9 164
15:
2-Phenvlindole
1 9 2
190 1
' ' I
L47 178 I
100
80
60
40
2 0
1
I
MIZ Ion Intensity (%) MIZ
51 11.3 63 10.9 89 22.4 90 10.3 115 6.2 139 8.5 164 8.6
165 166 178 192 193 194 195
t
Ion Intensity (%)
44.9 9.0 0.7
14.0 100.0 16.2 1.1
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
302
303
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phosphoric acid, diphenyl 2-ethylhexyl ester
0 C2H5 O=.P-O-CH2-CH-C4H9 9 I I
I I 0
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 01241-94-7 - 72800 - SML = 3.0 mglkg - C*,H2,O,P - 362
- 2-Ethylhexyl diphenyl phosphate
- Colourless liquid, mp -3O"C, bp 375°C. - Soluble in alcohol, ether, benzene, chloroform.
- Store at room temperature.
- Standard sample was supplied.
- Plastizicer. - Inks, PVC.
- 45.1 min.
304
1
(yl CI 0 0
h m
CAS NO. 01241-94-7
305
PM Ref. No. 72800
PHOSPHORIC ACID, DIPHENYL 2-ETHYLHEXYL ESTER
Peak wavenumber I % T I Relative intensity 428,3 526,6 580,6 617,3 644,3 688,7 771,6 904,7 951 ,O 1024,3 1163,2 1 192,2 1221,l 1294,4 1466,l 1491,2 1593,4 2862,7 2932,2 2961,l
92,9 77,8 88,l
85,7 94,8 56,3 59,2 82,O 22,2 31,l 57,7 27,6 56,7 47,7 74,3 36,8 61,4 68,2
52, f 50,3
9,1 28,5 15,3 18,4
6,7 56,2 52,5 23,l 100,o 88,6 54,4 93,l 55,7 67,3 33,l 81,3 49,6 40,9
61,6 63,9
306
60 -
40 -
20 - -
Phosphoric acid, diphenyl 2-ethylhexyl ester
94, 175
77 4 4
2
I 55 1 7 4
9 5 112 1 5 2 232 j ig5 , 1, 217 I
1
/ " " " " ' I "
3 6 2
1 ' " ' 1 ' 7 ' / ' ' 7 ' '
MJZ Ion Intensity (%) MJZ Ion Intensity (%)
41 12.9 43 10.4 55 9.1 77 11.1 94 2.5 175 16.7
Spectrometer Inletsystem : Capillary GC/MS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range 25-450
249 11.7 250 21.9 25 1 100.0 252 12.1 362 9.4 363 1.7
307
t
308
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phosphoric acid, tributoxyethyl ester
Physical Characteristics
Handling Safety Availability
Current uses Apulications
r 1
GC Retention time
- 00078-51-3 - 73600 - SML = 3.0 mglkg - C,*H,,O,P - 398
- 2-Butoxyethanol, phosphate
- Colourless liquid, mp - 70"C,
- Soluble in most organic solvents. bp 215 - 228°C (4 IIXII Hg).
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer, flame retardant. - Paper.
- 44.9 min.
- Not widely used for plastic food contact materials.
309
0 0 0
ln 0
0 0 0
m m
0 0 0
h m
0 0 0
0 0 0
F w h ul
asueqqrwsued l x
- 0 *g 0 0 d
0 0
0 N
c 7
0 0
0 d
m
0 0
0 \D m N
0 0
0
N m m
0 0
0
o w 0 0
0 N
8
Y
.I m aJ
&
3 M
X 0 L
L ..
310
Yo T 91,9 89,6 76,6 42,5 26,7 39,9 52,9 82,2
83,6
72,3 47,7 48,O 43,8
CAS NO. 00078-51-3 PM Ref. No. 73600
Relative intensity 11,o 14,2 31,9 78,4 100,o 82,O 64,2 24,3 22,4
37,8
71,3 70,9 76,7
PHOSPHORIC ACID, TRIBUTOXYETHYL ESTER
Peak wavenumber 428,3 476,5 817,9 987,7 1043,6 1 134,3 1279,O
1365,8 1381,2
1460,3 2872,4 2936,O 2959,2
311
12;
199
100 I 227 I
153 I
2 4 9
225
207 243 p 3 271 355 I r 1
c 81 113 ?39 171
J,l,, jly, )!III:, 1 , , I , , I ( , , I ! , I , ' ( , / ' I , ,!", , 1
I , , , I , ! , , ! , , , , , " , , , , , , , , ,
Phosphoric acid, tributoxyethyl ester
57
8
M/Z
41 45 55 56 57 85 99 100 101
Ion Intensity (%)
40.7 67.4 11.5 64.5
100.0 47.2 19.4 20.8 18.0
M/Z
125 153 154 155 199 227 299 355
Ion Intensity (%)
39.4 18.2 11.3 11.6 24.1 21 .o 13.8 1.8
Spectrometer : Finnigan Mat S S Q 700 Inletsystem : Capillary GUMS Source Temperature : 180 O C Electron Energy : 70 eV Scan Range : 40-500
3 12
L
313
Phosphoric acid, tributyl ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
- 00126-73-8 - 73680 - SML = 3.0 mg/kg - C12H27OP - 266
- Tributyl phosphate
- Colourless liquid, mp < -8O"C, bp 289°C with decomposition.
- Soluble in most organic solvents.
- Store at room temperature. - Irritant. - Standard sample was supplied.
- Plasticizer. - Cellulose esters.
GC Retention time - 30.5 min.
314
0 0 0
Ln 0 7
0 0 0
N m
0 0 0
m Ln
0 0 0
Ln \o
0 0 0
PI m
aXJe~q!wsueJ~ x
- 0 '
g 6 0
0 0
0
2 -
0 0
0 v m
0 0
0 Ln Ln N
0 0
0
N m m
0 0
0 0 0
0 - 0 0
0 .cT
.. 2
CAS NO. 00126-73-8
315
PM Ref. No. 73680
PHOSPHORIC ACID, TRIBUTYL ESTER
Peak w aven u m be1 544.0 555.6 993.5 1028.2 1282.8 1466.1 2876.2 2936.0 2961.1
% T 94.4 93.8 61 .O 43.4 71.5 88.4 81.9 75.9 64.3
qelative intensitv 9.8 11.0 69.0 100.0 50.4 20.5 32.0 42.6 63.1
316
100 -
80 -
60 -
Phosphoric acid, tributyl ester
5 0 1
155
>l;;, p:,;, ; r 3 , , ,I , , ."I;, , , , , , , , , 1 5 0 200 250
M/Z Ion Intensity (%) MIZ
27 28 29 39 41 43 55 56
4.7 5.6
15.9 3.1
18.2 2.4 5.9 3.9
57 99 111 125 137 155 21 1 237
Ion Intensity (%)
14.6 100.0
2.4 6.5 4.0
23.9 13.0 0.4
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 25-500
317
318
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling, Safety Availability
Current uses Applications
GC Retention time
Phosphoric acid, triisobutyl ester
3
- 00126-71-6 - 73840 - SML = 3.0 mg/kg - C,,H*,O,P - 266
- Triisobutyl phosphate
- Colourless liquid, mp abt. -8O"C, bp 264°C. - Soluble in alcohol, ether, benzene, water.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - Cellulose esters.
- 27.5 min.
319
0 0 0
ul m
0 0 0
m N
0 0 0
d
0 0 0
r. ul
m
a3ueJJ!usueJi x
0
0 0 d
0 0
0 -3- m F
0 0
0 ul m N
0 0
0
N m m
0 0
0 0 0
0 - 0 0
0 c
& M
V
..
320
CAS NO. 00126-71-6 PM Ref. No. 73840
PHOSPHORIC ACID, TRIISOBUTYL ESTER
Peak wavenumbei 418.6 542.1 879.7 918.2 964.5 1022.4 1284.8 1369.6 1396.6 1471.9 2876.2 2963.0
Yo T 88.1 84.6 67.4 86.2 76.1 13.7 57.0 84.1 87.8 72.8 71 . I 45.3
3elative intensity 13.8 17.8 37.8 16.0 27.7 100.0 49.9 18.5 14.1 31.6 33.5 63.5
32 1
100
80
60
40
2 0
Phosphoric acid, triisobutyl ester
,lTf;, , ; 9 r 1 , , I , , , , , , , , I , , , , , ,
150 260 250
MIZ Ion Intensity (%) MIZ
32 41 43 55 56 57 99 112
4.0 7.2
2.49 3.8 2.8
13.8 100.0
8.7
113 137 139 153 155 156 167 21 1
Ion Intensity (%)
6.2 3.9
13.3 4.2
42.5 2.19 5.8
15.8
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 25-500
322
323
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phosphoric acid, triphenyl ester
Physical Characteristics
3
Handling Safetv Availability
Current uses Applications
GC Retention time
- 00115-86-6 - 73920 - SML = 3.0 mg/kg - C,*H*,O,P - 326
- Triphenyl phosphate
- White crystalline powder, mp 50 - 51 "C,
- Soluble in most organic solvents. bp 245°C (11 mm Hg).
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer, flame retardant. - Paper.
- 44.4 min.
- Not widely used for plastic food contact materials.
324
- 9 g 0 0 d
0 0 0
8 0 8 8 8 0 0
0, ro
0 0
PI
0
In - m m
- In m
lIl
0
Y
I I Q)
u a
0 0
0 u. m
0 0
0 I0 In N
8 0
cu m m
0 0
CAS NO. 00115-86-6
325
PM Ref. No. 73920
PHOSPHORIC ACID,TRIPHENYL ESTER
Peak wavenum ber 41 8.6 441.8
466.8
499.6 518.9 565.2 580.6 596.1 690.6 727.3 752.3 769.7 787.1 846.9 914.4 953.0 1008.9 1022.4 1070.6 1 163.2 1176.7 1234.6 1294.4 1454.5 1485.4 1589.5 1952.2
3061.4
% T 85.1 93.2 73.7
66.6 55.8 73.7 73.9 86.1 51.4 90.0 63.6 40.9 58.9 89.2 56.7 21.7
40.9 57.3 74.7
39.3 33.0 67.8 36.9 72.1 43.1 58.7
90.1 78.4
Relative intensity 19.0 8.7 33.6
42.7
56.5 33.6 33.4 17.8 62.1 12.8 46.5 75.5 52.5 13.8 55.3 100.0
75.5 54.6 32.3 77.6 85.6 41.2 80.6 35.7 72.7 52.8 12.7
27.6
326
Phosphoric acid, triphenyl ester
3 2.
MJZ Ion Intensity (%) MJZ
51 65 77 78 93 94 139 141 152 168
27.6 48.1 93.8 7.0
10.0 33.3 9.8
11.6 10.0 15.5
169 170 215 228 232 233 325 326 327 328
Ion Intensity (%)
28.5 36.3 27.2 14.8 16.0 20.7 83.0
100.0 16.3 2.2
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-500
327
328
Phosphoric acid, tris(2-ethylhexyl) ester
CAS No. - 00078-42-2 PM Ref. No. - 74000 Restrictions - SML = 3.0 mg/kg Formula - C24H5IO4P Molecular weight - 434
Alternative names - Trioctyl phosphate, Tri(Zethylhexy1) phosphate
Physical Characteristics - Colourless liquid, mp -74"C,
- Soluble in alcohol, acetone, ether. bp 215°C (4 mm Hg).
Handling Safety Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Lubricant, plasticizer. - Inks, PVC.
GC Retention time - 64.2 min.
329
0 0 0
Q m
0 0 c)
h Q
0 0 0
oc v
0
0 0 *
0 0
0 cu 7 -
0 0
0 0
co -
0 0
0 10
2
0 0
0 a, Tu m
0 0
330
CAS NO. 00078-42-2 PM Ref. No. 74000
PHOSPHORIC ACI D, TR IS(2- ETHY LH EXY L) ESTER
Peak wavenumber 434,O 474,6 586,4 611,5 727,3 769,7 885,4 1022,4 1269,3 1284,8 2862,7 2932,2 2961,l
'/o T 93,4 92,3 94,7 94,3 94,4 91,3 78,O 21,2 66,l
62,2 53,O 32,8 30,5
Relative intensity 8,4 9,8 6,7
7,1 11,o 27,9 100,o 43,O 48,O 59,6 85,3 88,2
72
33 1
323 I
125 153 181
I
MIZ
41 43 55 57 69 71 83
Spectrometer Inletsystem
Phosphoric acid, tris(2-ethylhexyl) ester
113 I
I
Ion Intensity (%) MIZ Ion Intensity (%)
5.1 6.9 6.1
13.1 5.3
10.5 2.4
: Finnigan Mat SSQ 700 : Capillary GCIMS
99 100.0 112 5.9 113 23.5 21 1 10.0 212 0.7 323 6.0 324 1 .o
Source Temperature : 180°C Electron Energy : 70 eV Scan Range : 25-700
W W h,
00078-42-2 PHOSPHORIC ACID, TRIS(2-ETHYLHEXYL)ESTER
16384
333
Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
t .
- 31570-04-4 - 74240 - None - C42H63O3P - 646.94
1
Butyl
3
- Tris(2,4-di-tert-butylphenyl)phosphite
- White powder, mp 180 - 185°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample supplied.
- Stabilizer, co-stabilizer - General use.
- 58.9 min. - Di-tert-butylphenol27.7 min. - Tris(2,4-di-tert-bntyIphenyl)phosphate 49.2 min.
334
i
0 0 0
ul
0
0 0 0
m m
0 0 0
h 7
0 0 0
v ln
0 0 0
h W
- 9 'E
0 0
0
2 -
0 0
0 w m -
0
0 a ul N
9
0 0
0
N m m
0 0
0 0 0
0 - 4 - 0 0
0 N
0 51
0 51 a
k
..
CAS NO. 31570-04-4
335
PM Ref. No. 74240
PHOSPHOROUS ACID, TRIS(2,4 DI-TERT-BUTYLPHENYL) ESTER
Peak wavenumbe 410.9 434.0 495.8 580.6 646.2 661.7 692.5 727.3 775.5 825.6 854.6 889.3 906.7 1082.2 1 126.6 1 155.5 1 196.0 1213.4 1248.1 1275.1 1361.9 1398.6 1462.2 1491.2 2868.5 2932.2 2961 .I
% T 88.6 88.5 82.5 84.0 82.2 87.8 71.8
89.2 56.4 67.2 29.1 79.5 58.0 51.1 87.2 82.4 45.2 46.62 74.25 78.85 66.44 70.91 79.29 49.82 69.26 61 -79 45.48
qelative intensity 16.1 16.2 24.7 22.5 25.1 17.2 39.8 15.2 61.5 46.2 100.0 28.9 59.3 68.9 18.0 24.8 77.3 75.3 36.3 29.8 47.3 41 .O 29.2 70.8 43.3 53.9 76.9
336
Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester
M/Z Ion Intensity (%) MIZ Ion Intensity (%)
41 16.6 55 5.5 57 100.0 58 4.3 91 5.0 105 2.5 147 19.7
191 10.3 308 4.0 44 1 16.5 646 4.4 647 1.7 648 0.3
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-700
337
Di-tert-butylphenol
l!
MIZ Ion Intensity (%) M/Z
41 43 57 58 73 74 88 91
18.6 4.6
39.0 3.4 8.9
11.6 4.6 6.5
145 163 175 191 192 206 207 208
206 :: 200
Ion Intensity (%)
4.3 5.6 3.4 100
12.7 21.9 3.7 0.5
Spectrometer Inletsystem : Capillary GC/MS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-700
338
1 0 0 -
80 -
60 -
40 -
2 0 -
i
3
9 1 1 4 7 j9
I l j 1 l / / , , / I
2 0 7
I 2 5 3 2 9 1 1 , 1 , , I
3 5 5 5 9 1 I i
400 500 600 I ' " " ' " ' / ' " " ' " l ' ' '
MJZ Ion Intensity (%) MJZ Ion Intensity ( a )
41 31.7 55 8.6 57 100.0 91 7.0 I19 3.7 147 6.4
175 3.8 191 11.9 316 35.6 647 46.5 662 11.6 663 2.7
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-700
i" 74240 PHOSPHOROUS ACID, TRIS(2,4-DI-tert-BUTYLPHENYL) ESTER
W W \o
340
Phosphorous acid, tri(nony1-and/or dinonylphenyl) ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 26523-78-4 and 01333-21-7 - 74400 - SML = 30 mg/kg - n = 1 and/or 2
- Tris(nonylpheny1)phosphite
- Slightly yellow viscous liquid. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Stabilizer, antioxidant. - General use.
- Degradation product, cluster 31.8 - 33.3 min.
341
D D D
0 - r D
0
0 0 0
7 ‘ 0 N
0 0 0
N T
D 0 D
P7 a
D 0 D
T
D D D
hn D m F
Y a, 1 a, a
h
342
CAS NO. 26523-78-4 and 00133-21-7 PM Ref. No. 74400
PHOSPHOROUS ACID, TRISINONYL and/or DINONYLPHENYL)
Peak wavenumber 405,l 428,3 509,3 522,8 569,l 632,7 657,8 731,l 752,3 835,3 870,O 916,3 1016,6 1093,8 1113,l 1172,9 1211,4 1365,8 1379,3 1410,l 1466,l 1504-7 1583,8 1603,O 1892,4 2386,2 2727,7 2872,4 2932,2 2963,O 3038,3 3752,O 3854,2
ESTER Yo T 87,3 79,3 83,9 82,4 65,l 67,7 79,5 49,5 25,6 1 1 , l 23 23,4 36,6 74,O 60,7 3,5 3,4 45,3 33,O 62,8 22,8 4,6 58,2 34,8 80,2 86,6 86,8 13,O 6 2 3,O 53,6 89,9 86,O
Relative intensity 13,l 21,3 16,6 18,l 35,9 33,3 21,l 52,O 76,6 91,6 100,o 78,9 65,3 26,8 40,5 99,4 99,5 56,3 69,O 38,3 79,5 98,3 43,l 67,2 20,4 13,8 13,6 89,6 96,6 99,9 47,8 10,4 14,4
343
Phosphorous acid, tri(nony1-andlor dinonylphenyl) ester
p11400 2.596
2.396
2.296
2.1E6
2 .096
1.996
l.lE6
1.696
1.596
l.4E6
603
4 6 9
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 43 55 57 71 91 107 118 121 135
42.3 34.4 22.7 35.0 24.5 28.2 47.9 20.2 42.3
100.0
149 469 470 603 604 617 618 63 1 632 645
46.6 53.4 18.4 77.9 34.4 67.5 30.7 44.8 20.2 19.6
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
100 -
8 0 -
60 -
4 0 -
2 0 -
43
I 50 100
57 619 8 4 g ? I 1,
MJZ
41 55 77 91 107 121 135
Degradation product
Ion Intensity (%)
13.2 8.3 6.7 7.9
49.1 40.7
100.0
149
1 4 7
150 200
MIZ Ion Intensity ( W )
149 38.9 163 10.8 177 4.7 191 5.5 220 6.5 22 1 1.9
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-700
345
346
Phthalic acid, benzyl butyl ester
CAS No. - 00085-68-7 PM Ref. No. - 74560 Restrictions - SML = 6.0 mg/kg Formula - C19H2004 Molecular weight - 312
Alternative names - Benzylbutyl phthalate
Physical Characteristics - Colourless liquid, mp -35°C bp 370°C. - Soluble in most organic solvents.
Handling Safetv Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer, lubricant, carrier. - PVC, PVDC, styrene co-polymers, inks.
GC Retention time - 43.7 min.
347
..
348
CAS NO. 00085-68-7
PHTHALIC ACID, BENNL BUTYL ESTER
Peak w aven urn be I 416.7 432.1 698.3 742.7 1039.8 1070.6 1122.7 1284.8 1377.3 1456.4 1489.2 1498.9 1599.2 1726.5 2874.3 2934.1 2959.2
% T 87.9 94.0 66.2 57.2 84.4 49.5 42.0 21 .l 79.7 75.1 88.4 85.1 87.1 21 .o 80.7 74.5 66.4
PM Ref. No. 74560
qelative intensity 15.3 7.6 42.8 54.1 19.8 63.9 73.4 99.9 25.7 31.5 14.7 18.8 16.4 100.0 24.4 32.2 42.6
349
Phthalic acid, benzyl butyl ester
9
20 - 67 lp4
- 4 1 1?3 206 7 76,
77
238 3 l& l " ~ ~ ~ " " l " ' " ' ~ " " ' ~ " " ' 1 ~ ' " " ' ~ ~ I ~ " ' ~ ' ' " I " '
50 100 150 200 250 300
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 65 76 77 91 104 105 122 131
12.9 17.8 12.4 8.7
75.4 17.5 11.3 8.4
132 133 135 149 150 206 238 312 1 1 1
10.8 2.5 6.1
100.0 11.6 14.2 1.3 0.8 n i
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range 40-500
350
4
35 1
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phthalic acid, bis(2-ethylhexyl) ester
0 I 1
C2H5 I
mc- C-O-CH2-CH-C4Hg
C-O-CH2-CH-C4Hg
0 I1 I
- 00117-81-7 - 74640 - SML = 3.0 mg/kg - C,H,*O, - 390
- Dioctyl phthalate, Di(2-ethylhexyl) phthalate
Physical Characteristics - Light coloured liquid, mp -5O"C, bp 384°C. - Soluble in most organic solvents.
Handling Safety Availability
Current uses Auulications
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer, lubricant, carrier, release agent. - PVC, PVDC, styrene co-polymers, inks.
GC Retention time - 47.2 min.
352
I
0 0 0 8 0 0 0 0 0 0 0 0
i
0 0 0
0 -
i
- g 'g 0 w
0
0 N
9
7 7
0
0 9
m v
0
0 rD Ln N
9
0
0
N m
9 m
0 0
..
..
CAS NO. 00117-81-7
353
PM Ref. No. 74640
PHTHALIC ACID, BIS(2-ETHYLHEXYL) ESTER
Peak wavenumbei 414.8 437.9 447.5 652.0 706.0 742.7 958.7 1039.8 1072.6 1122.7 1275.1 1381.2 1464.2 1581.8 1601.1 1730.4 2862.7 2932.2 2961 .I 3427.9
Yo T 87.5 94.3 93.6 86.6 68.3 46.5 76.9 68.3 29.1 23.6 11.2 60.2 45.8 77.5 79.6 10.6 36.7 19.88 18.50 90.61
qelative intensity 14.0 6.4 7.2 15.0 35.5 59.8 25.9 35.5 79.4 85.5 99.3 44.5 60.7 25.1 22.8 100.0 70.8 89.6 91.2 10.5
354
1
11 I
Phthalic acid, bis(2-ethylhexyl) ester
~ x 2 0 0 . 0 0 , PMl4 640
219
1.2E6
1.1E6
1.1E6
9.9E5
9.3E5
B.lE5
8.1E5
7.515
6 . BE5
6.2E5
5.6E5
S.OE5
4.335
3.135
3.1E.5
2.5E5
1.9E5
1.2E5
6.2E4
0. OEO MI
MIZ
41 43 55 56 57 69 70 71
Ion Intensity (%)
6.4 20.2 14.6 8.0
35.9 5.7
17.5 22.2
MIZ
83 112 113 149 150 167 279
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
Ion Intensity (%)
7.9 11.8 15.6
100.0 13.0 52.9 18.2
355
c
I
356
Phthalic acid, dibutyl ester
0 II
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
00084-74-2 74880 SML = 3.0 mg/kg
278 CI6H22O4
Dibutyl phthalate
Colourless liquid, mp -35"C, bp 340°C. Soluble in alcohol, ether, benzene.
Store at room temperature.
Standard sample was supplied.
Plasticizer PVC .
36.7 min.
357
0 0
0 -r m -
0 0
0 ro In N
' 0
0 m N m
9
0 0
358
CAS NO. 00084-74-2
PHTHALIC ACID, DIBUTYL ESTER
Peak wavenumbei 412.8 430.2
445.6 467.1 704.1
746.5
943.3
1018.5
1039.8
1074.5 1099.6
1 122.7 1288.6
1340.7
1385.1
1450.7
1466.1
1726.5
2876.2
2937.9
2961.9
% T 69.0
80.5
93.9 82.0
61.8
82.6
84.4
79.3
35.6
74.2
36.2
13.5
78.8
75.8 75.1
70.0
12.9
65.1
56.3
41.5
87.2
PM Ref. No. 74880
tELATIVE INTENSITY
35.6
22.4
14.7
7.0 20.7
43.9
20.0
17.9
23.8
73.9
29.6
73.2
99.3
24.3
27.8 28.6
34.4 100.0
40.1
50.2
67.2
359
100 -
80 -
60 -
4 0 -
20 -
Phthalic acid, dibutyl ester
5 5
65 ' 93 1 12 1
123 7 1 T
M/Z
I t , ,
1
/ I , , , , , , , , I , I ,
56
I 7 6 104
160 1_67
278 1
41 56 57 65 76 77 93
Ion Intensity (%)
34.7 16.2 16.0 11.6 13.0 3.7 8.5
5 0
223 I
,pi 1
M/Z Ion Intensity (%)
104 12.1 105 6.0 149 100.0 150 25.4 205 16.1 223 20.7 278 3.2
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range 40-300
3 60
361
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
Phthalic acid, dicyclohexyl ester
- 00084-61-7 - 74960 - SML = 6.0 mg/kg - C*oH,O, - 330.43
- Dicyclohexyl phthalate
- White powder, mp 63 - 65"C,
- Soluble in most organic solvents. bp 220 - 230°C.
- Store at room temperature.
- Standard sample was supplied
- Plasticizer. - PVC, PVDC.
- 46.3 min.
362
0 0 0
m z 0 0 0
d m
3 " 'E g o 0
0
0 9
2 c
0 0
0 p'
E
0
0 L n m N
9
0
0
N m
9 m
0 0
0 0 0
0 - 0 0
0
8 ..
CAS NO. 00084-61-7
PHTHALIC ACID, DICYCLOHEXYLESTER
Peak wavenumber 410.9 449.5 476.5 490.0 549.8 594.2 648.2 692.5 71 1 .8 740.8 794.8 804.4 827.6 839.1 858.4 891.2 916.3 943.3 958.7 987.7 1010.8 1039.8 1076.4 1126.6 1142.0 11 57.4 11 96.0 1246.2 1257.7 1267.4 1294.4 1360.0 1373.5 1446.8 1468.0 1487.3 1579.9 1599.2 1632.0 1713.0 1944.5 1973.4 2662.1 2860.8 2937.9 2976.5 3074.9 3416.4
% T 79.8 86.6 58.6 79.9 66.5 77.4 61.4 66.1 71.8 13.8 42.5 60.1 67.3 54.0 62.3 48.1 22.3 33.5
66.6 59.1 15.9 28.6 13.6 5.0 17.9 40.4 60.0 14.7 7.8 9.0 2.0
33.7 35.4 23.4 50.2
43.5 52.9 49.0 84.5 5.3 89.3 90.8 88.8 17.1 7.8
47.5 84.1 79.2
ielative intensity 20.6 13.7 42.2 20.5 34.2 23.1 39.4 34.6 28.8 87.9 58.7 40.7 33.4 46.9 38.5 52.9 79.3 67.8 34.1 41.7 85.8 72.8 88.1 96.9 83.7 60.8 40.8 87.0 94.0 92.8 100.0 67.6 65.9 78.1 50.8 57.6 48.0 52.0 15.8 96.6 10.9 9.4 11.4 84.6 94.0 53.8 16.2 21.2
363
PM Ref. No. 74960
3 64
Phthalic acid, dicyclohexyl ester
MIZ Ion Intensity (%) M/Z Ion Intensity ( W )
41 16.9 55 25.3 67 7.2 77 1.6 104 5.1
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range 25-450
149 100.0 150 14.1 167 35.1 249 9.0
00084-61 -7 PHTHALIC ACID, DICYCLOHEXYL ESTER 16384
SW 3125 NS 72
, , -7-
8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0
366
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
Phthalic acid, diethyl ester
0 II
0
- 00084-66-2 - 75120 - SML = 12 mg/kg - C,*H,4O4 - 222
- Diethyl phthalate
- Colourless liquid, mp -4O"C, bp 298°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - General use.
- 29.1 min.
367
0 0 0
In
51
0
8 0 o\
- 9 'g 0 0 Q
0
0 N
9 -
0 C
0 P co
0 0
0 \o In N
0 0
0
m 3
0 0
0 0
0 s 8 0 m
1
e s U c?
368
CAS NO. 00084-66-2 PM Ref. No. 75120
PHTHALIC ACID, DIETHYL ESTER
Peak wavenumber 41 8.6
744.6 1016.6 1041.7 1072.6 1126.6 1 174.8 1286.7 1367.7 1448.7 1726.5 2984.2
% T 63.5 75.8 84.4 81.0 63.7 63.6 88.3 37.8 77.5 88.5 37.5 85.0
Relative intensit
30.4
58.2 I
18.7 99.5
36.0 18.4 100.0 24.0
369
1 0 0 -
8 0 -
60 -
40 -
20 -
.
Phthalic acid, diethyl ester
1
105
50 65, 76, 93, ' 12; 1 3 2 151 I 1 , 9 L 9 4 1_07 1, I 1 3 5 1 ~ ~ " ' ' " ' 1 " ' " ~ ' ~ ' .
5 0 1 0 0
MIZ Ion Intensity (%)
50 2.0 65 4.8 76 5.1 93 5.5 105 6.6 149 100.0
177
, ;64 , Ip', ;94 I , , y;,, ) 200
MIZ Ion Intensity (%)
150 11.6 176 10.8 177 30.3 178 6.1 222 4.6 223 0.6
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 40-500
w -4 0
PHTHALJC ACID, DIETHYL ESTER
r-
371
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling
Availability Safetv
Current uses Auulications
GC Retention time
Phthalic acid, diisobutyl ester
0 It
CH3 I
C-O-CH2-CH -CH3
C-O-CH2-CH-CH3 a' II I 0 CH3
- 00084-69-5 - 75280 - SML = 3.0 mglkg - C,,HZZO, - 278
- Diisobutyl phthalate
- Colourless liquid, mp -5O"C, bp 295 - 298°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - General use.
- 35.2 min.
372
0 0 0
ul 0 c
I I I I I I I I
0 0 0
m m
0 0 0
h m
0 0 0
7 w h ln
0
a3ueql:osueJl
- 0 g 'g w
0
0 N
9
? 7
0
0 d
9
z
0 0
0 \o ul N
0 0
0
N m m
0 0
0 0 0
o w 0 0
0 N
_ - Y ..
CAS NO. 00084-69-5
PHTHALIC ACID, DIISOBUTYL ESTER
Peak w aven u m be, 652.0 706.0 744.6 947.2 981.9 1039.8 1072.6 1122.7 1286.7 1342.6 1377.3 1394.7 1469.9 1581.8 1601.1 1726.5 2876.2 2963.0
% T 90.2 82.2 69.7 87.8 76.1 86.4 51.3 48.4 28.4 87.5 75.8 87.7 74.1 88.4 87.7 24.2 78.2 57.99
373
PM Ref. No. 75280
3elative intensity 13.0 23.5 40.0 16.1 31.6 17.9 64.3 68.1 94.5 16.4 31.9 16.2 34.2 15.3 16.2 100.0 28.8 55.4
374
Phthalic acid, diisobutyl ester
20 4 5 1
12,l 1132
50 100 1
2 22
I , , , , , 215 , 1 p 4
16.1
I " ' , ' * 200 250
MIZ Ion Intensity (%) M/Z Ion Intensity (%)
41 43 56 57 65 76 77 93 104
11.8 3.3 4.7
17.5 2.8 5.6 1.4 2.2 7.4
105 121 149 150 167 205 223 224
2.0 1.9
100.0 8.6 3.4 2.5 7.4 0.8
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-500
375
376
Phthalic acid, diisodecyl ester
0
0
CAS No. - 26761-40-0 PM Ref. No. - 75360 Restrictions - Re-examined Formula - C28H4604 Molecular weight - 446
Alternative names - Diisodecyl phthalate
Physical Characteristics - Colourless liquid, mp -5O"C, bp 450°C. - Soluble in most organic solvents.
Handling Safetv Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC.
GC Retention time - Cluster 48.3 - 54.3 min.
377
0 0 0
Ln 0 -
0 0 0
ro m
- ? 'E 8 0 v
0 0
0 N
7 F
0 0
0 1T
m
0 0
0 ro l J l N
0 0
0
cu m m
0
9 0 0 0
o w . 0 0
0 c
378
CAS NO. 26761-40-0
PHTHALIC ACID, DllSODECYL ESTER
Peak wavenumbe 414.8 428.3 542.1 565.2 706.0 742.7 966.5 1039.8 1072.6 1122.7 1286.7 1381.2 1466.1 1581.8 1601.1 1728.4 2874.3 2930.2 2959.2
% T 87.4 88.8 94.4 92.7 75.4 54.0 79.4 73.7 39.4 29.9 13.9 58.5 49.1 83.3 84.0 13.3 37.4 24.91 16.89
PM Ref. No. 75360
3elative intensity 14.6 12.9 6.5 8.5 28.4 53.0 23.7 30.3 69.9 80.9 99.3 47.9 58.6 19.3 18.4 100.0 72.2 86.6 95.8
379
PM75360 *r100*
307
446
Phthalic acid, diisodecyl ester
1,3E6
1.2E6
1.2E6
1.1E6
1.OE6
9. BE5
9.1E5
8.5E5
7 . BE5
7.2E5
6 S E 5
5.9E5
5.2E5
4.6E5
3.9E5
3.315
2.6E5
2.0E5
1.3E5
95
90
85
80
15
1 0
65
60
55
50
45
40
35
30
25
20
15
10
5
0
5 1 I
50 d 1 5 0
MiZ
43 55 56 57 69 70 71 83 84 85
Ion Intensity (%)
44.1 26.1 10.1 51.4 23.8 18.9 46.2 14.5 11.3 42.0
MIZ
97 99 104 111 141 149 150 167 307 308
Ion Intensity (%)
8.9 8.1 5.1 6.6
22.6 100.0 11.8 40.1 32.8 6.7
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
380
381
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Phthalic acid, diisononyl ester
0 II
0
- 28533-12-0 - 75440 - Re-examined - C26H4204 - 418
Alternative names - Diisononyl phthalate
Physical Characteristics - Colourless liquid, mp -48°C. - Soluble in most organic solvents.
Handling Safety Availability
Current uses Auulications
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer - PVC.
GC Retention time - Cluster 47.9 - 52.1 min.
382
c- r
-
c
-
> -
? I 1 I I I I I I I
0 0 0 0 0 0 0 0 8 0 0
0 0 0
0 -
- 0 '
g E 9.
a 0
0
2 7
0
0 9 w m -
0 0
0 Ln In N
0 0
0 m N m
0 0
.. 1
3 p!
E
CAS NO. 28533-12-0
PHTHALIC ACID, DIISONONYL ESTER
Peak wavenumbe 410.9 441.8 536.3 706.0 742.7 966.5 1039.8 1074.5 1124.6 1286.7 1367.7 1383.1 1466.1 1581.8 1601.1 1728.4 2874.3 2928.3 2959.2
% T 89.8 90.5 94.4 76.0 52.7 78.7 73.3 37.8 27.8 11.6 68.2 57.4 48.6 82.4 83.6 11.9 40.1 26.63 16.35
383
PM Ref. No. 75440
qelative intensity 11.6 10.8 6.3 27.1 53.6 24.1 30.2 70.4 81.8 100.0 36.0 48.2 58.2 19.9 18.6 99.7 67.8 83.0 94.7
384
30 w I 0 1 0 1 0 120 J ~ / 180 " ' 2 b O " ' 2 1 0 " ' 240 " ' 2 k O 'rbL! 280 360 > , , 3hO " ' 340 " " " " 380 3 b O " ' 460 ' , L , , ' , 4hO 44C
85 I li'
95
90
85
80
75
70
65
60
55
50
45
40
35
30
25
20
15
10
5
0 40 -
I g 7 I
Phthalic acid, diisononyl ester
~ x 1 0 0 . 0 0 ~ PM75440
167
1.5E6
1.4E6
1.3E6
1.3E6
1.2E6
1.1E6
l.OE6
9.6E5
8.9E5
8.1E5
7.4E5
6.735
5.9E5
5.2E5
4.4E5
3.7E5
3.OE5
2.2E5
1. SES
7.4E4
O.OEO M/ -
MJZ
43 55 56 57 69 70 71 83 84
Ion Intensity (%)
30.5 18.6 9.5
43.9 12.4 10.7 35.4 9.2 6.1
MJZ
85 97 126 127 149 150 167 279
Ion Intensity (%)
17.8 5.8 5.2
22.9 100.0 11.2 20.3 23.2
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
385
386
Phthalic acid, diisooctyl ester
0
CAS No. - 27554-26-3 PM Ref. No. - 75520 Restrictions - SML = 3.0 mg/kg Formula - C24H3804 Molecular weight - 390
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
- Diisooctyl phthalate
- Colourless liquid, mp -43"C, bp 370°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC.
- Cluster 45.6 - 50.2 min.
387
0 0 0
y7 0 7
0 0 0
w m
0 0 0
N
0 0 0
N w
0 0 0
m u3 7
a3ueqqrmsueJl %
- :: '8 0 w
0 0
0
N -
0 0
0 w m 7
0 0
0 L n y7 N
0 0
0
N m m
0 0
0 0 0
0 - 0 0
0
..
3
388
CAS NO. 27554-26-3 PM Ref. No. 75520
PHTHALIC ACID, DIISOOCTYL ESTER
Peak wavenumbei 414.8 459.1 706.0 742.7 964.5 1039.8 1074.5 1124.6 1286.7 1367.7 1385.1 1466.1 1581.8 1601.1 1730.4 2874.3 2932.2 2959.2
% T 86.1 93.1 72.4 46.5 70.5 63.4 27.9 19.0 6.9 63.5 52.5 43.8 80.3 81 .l 8.2 34.7 23.8 13.03
qelative intensity 14.9 7.4
29.7 57.5 31.6 39.3 77.4 87.0 100.0 39.3 51 .O 60.4 21.1 20.4 98.6 70.2 81.9 93.4
389
00
95
90
85
80
75
70
65
60
55
50
45
40
35
30
25
20
15
10
5
0 40
MIZ
41 43 55 56 57 69 70 71
1
Phthalic acid, diisooctyl ester
PM75520 r x 1 0 0 . 0 0 ,
'T' 390 I
1.3E6
1.2E6
1.1E6
1.1E6
1.OE6
9.6E5
8.9E5
8.3E5
7.7E5
7.OE5
6.4E5
5.7E5
5.1E5
4. 5E5
3 . BE5
3.235
2.6E5
1.9E5
1.3E5
6.4E4
0. OEO
Ion Intensity (%) MIZ
8.81 23.7 18.7 11.4 68.3 17.8 14.5 42.3
83 84 112 113 149 150 167 279
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
Ion Intensity (%)
8.9 7.3 6.3
25.9 100.0
9.7 17.7 16.7
W \D 0
27554-26-3 PHTHALJC ACID, DIISOOCTYL ES 1-t 16384
39 1
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling
Availability safetv
Current uses Applications
GC Retention time
Phthalic acid, dimethyl ester
0 II
0
- 00131-11-3 - 75600 - SML = 3.0 mg/kg - C,OHIOO, - 194
- Dimethyl phthalate
- Oily liquid, mp 2"C, bp 282°C. - Soluble in most organic solvents.
- Store at room temperature. - Irritant. - Standard sample was supplied.
- Plasticizer, carrier. - PVC.
- 25.7 min.
392
0 0 0
m 0
0 0 0
w m
8 0 0
m N ro w
0
N
0
8 0
c
a w q J r w s u e J l x
- x ,g 0 v
s 0 $t -
0 0
0 %,
m
0 0
0 a m N
0 0
0
(u m m
0 0
0 0
0 0
0
3 - 3
.. 2 Y U
k a ..
CAS NO. 00131-11-3
393
PM Ref. No. 75600
PHTHALIC ACID, DIMETHYL ESTER
Peak wavenumber 412.8 434.0 445.6 466.8 480.3 559.4 652.0 706.0 746.5 817.9 843.0 958.7 1039.8 1076.4 1124.6 1 192.2 1292.5 1435.2 1489.2 1579.9 1601.1 1730.4 2903.2 2955.3 3003.5
% T 80.1 90.4 89.4 90.0 91.2 87.3 85.2 65.7 34.9 73.9 83.8 61.8 65.5 24.8 21.8 62.0 5.1
32.1 73.4 74.6 75.1 6.4 91.2 62.6 80.9
Relative intensity 21 .o 10.1 11.2 10.5 9.3 13.4 15.6 36.1 68.6 27.5 17.1 40.2 36.3 79.2 82.3 40.0 99.9 71.5 28.0 26.7 26.2 98.6 9.3 39.4 20.1
394
100
80
60
4 0
2 0
I
i 77i
I;/
Phthalic acid, dimethyl ester
9Zi
5b 7 5 1 0 0 1 5 0
MIZ Ion Intensity (%) MJZ
50 51 63 64 74 75 76 77 78 91
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
24.6 6.4 4.9 4.8
14.3 10.9 30.4 39.4 3.1 3.4
: Finnigan Mat SSQ 700 : Capillary GUMS : 180°C : 70 eV : 40-500
92 104 105 120 133 135 163 164 194 195
1 9 4
I 4 5 , , , 179, , , , ,I;
1 7 5
Ion Intensity (%)
27.8 15.0 9.5 4.4
11.5 6.5
100.0 9.3 5.8 0.7
396
Pol ydimethylsiloxane
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
- 09016-00-6 and 61348-62-9 - 76720 - None
- Approx. 12500
- Dimethicone
- Colourless viscous liquid, mp approx. -34°C. - Soluble in toluene, chloroform, ether.
- Store at room temperature.
- Standard sample was supplied.
- Lubricant. - PS, PVC, PE, PP.
GC Retention time
105.000 ,
t 84.000
- E
42.000 +-
0.000 I I I I
2560.00 1840.00 1120.00 400.0 4000.00 3280,OO
cm"
Name : POLYDIMETHYLSILOXANE
PM Nr :76720 CAS Nr : 09016-00-6 6 1348-62-9 KBr pellet
w \o 4
398
CAS NO. 09016-00-6 and 61348-62-9
POLY DI M ETHY LSILOXANE
Peak wavenumbei 661.7
686.7
800.6 864.2 1020.5
1097.6 2965.0
Yo T 86.3
83.3
9.4 60.3
10.2 11.9 49.7
PM Ref. No. 76720
ielative intensity 15.1 18.4
100.0 43.8
99.1 97.2 55.5
399
Pol ydirnethylsiloxane
%age
90
80
70
50
50
40
30
20
10
0
0 100
295
I
300
111 400
502
MJZ Ion Intensity (%)
43 45 55 57 70 73 147 207 22 1 222
29.3 26.7 23.3 20.0 21.3 73.3 44.7 24.0
100.0 24.0
M I Z
28 1 295 354 355 368 428 429 430 502 503
Ion Intensity (%)
44.0 58.7 78.0 29.3 50.0 70.0 31.3 20.7 43.3 22.0
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 40-1000
P 0 0
[E) ("") Name 09016-00-6 POLYDIMETHYLSILOXANE 63148-62-9 16384
SW 6494
Y
8.5 8 .0 7 .5 7.0 6.5 6 . 0 5 . 5 5 . 0 4.5 4.0 3 . 5 3.0 2.5 2 . 0 1.5 1.0 0.5 0.0
(PPm)
Polyethyleneglycol ether of tallow fatty alcohol
CAS No. - 61791-28-4 PM Ref. No. - 77760 Restrictions - None Formula Molecular weight - 10 units ethylene oxide (n= 10)
Alternative names
Physical Characteristics - Off white past, mp >3OoC. - Soluble in most organic solvents.
Handling Safety Availability
Current uses Applications
GC Retention time
- Store at room temperature.
- Standard sample was supplied. - Harmful.
- Lubricant, emulsifier, antistatic agent. - PVA, PTFE, polyolefins.
P 0 h,
Y
105 000
86,000
67,000 0)
c
Y Y .A
E
; 48 000 + x
29,000
10.000
3280.00 2560 00 1840.00 l12OI0O 400 0 4000.00 cm'
Name : POLYETHYLENEGLYCOL ETHER OF TALLOW FATTY ALCOHOL
PM Nr : 77760 CAS Nr : 61791-28-4 KBr pellet
CAS NO. 61791-28-4
403
PM Ref. No. 77760
POLYETHYLENEGLYCOL ETHER OF TALLOW FATTY ALCOHOL
Peak wave n u m be I 412.8 424.4 580.6 723.4 843.0 951 .O 1047.5 1115.0 1282.8 1346.5 1468.0 2855.0 2920.6 3285.2 3343.0 3377.8
O/o T 82.2 88.2 94.9 92.9 82.3 79.3 78.0 15.6 77.7 66.0 64.6 24.2 19.7 86.9 81.4 78.9
qelative intensity 21.1 14.0 6.1 8.5 21 .o 24.5 26.0 100.0 26.5 40.3 41.9 89.9 95.2 15.6 22.1 25.0
404
'P
a?
Polyethyleneglycol ether of tallow fatty alcohol
%ape
90
80
70
50
5c
4C
3c
2c
1c
<
1?3
1
221 260 ' ' 9' 3?? 339 371 515 445 409 507 551
100 200 300 400 500 500 700 800 900 M i l
MIZ Ion Intensity (%) MJZ Ion Intensity (%)
41 43 45 55 57 59 69 71 72 73
16.7 36.0
100.0 31.3 42.0 18.0 30.7 29.3 17.3 21.3
82 83 85 87 88 89 96 97 133 177
25.3 28.7 18.7 32.0 18.0 90.0 19.3 22.7 51.3 18.0
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 40-1000
POLYETHYLENEGLYCOLETHEROFTALLOWFARY ALCOHOL
SW 3125 NS 32
J-
406
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Poly (ethylene prop ylene) glycol
H0-E-CH2-CH2-0 CH-CH2-0 CH2-CH2-OH LPH3
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Apulications
- 9003-11-6 - 79930 - None
- 8000 - 1 1000
- Poly(oxyethylene)poly(oxypropylene) block copolymer
- White flakes, mp 55 - 60°C. - Soluble in most organic solvents.
- Store at room temperature. - Low toxicity. - Standard sample was supplied.
- Lubricant. - PS, PVC, PE, PP
GC Retention time
105.000
90.000
75.000 al u
m Y Y ..-I E Y)
60.000 + x
45,000
30,000 I I I I
2560.00 1840.00 1120.00 400.0 4000.00 3280.00
Name : POLY(ETHYLENE PR0PYLENE)GLYCOL
PM Nr :79930 CAS Nr : 9003-1 1-6 KBr pellet
e s
408
CAS NO. 9003-11-6 PM Ref. No. 79930
Poly(ethy1ene propylene) glycol
Peak wavenumbei 418.6 843.0 447.2 962.6 1061 .O 1113.1 1149.7 1242.3 1280.9 1344.6 1360.0 1468.0 2743.1 2851.1 2891.7 291 6.7
% T 79.2 61.3 71.8 65.2 57.6 37.6 50.7 71.8 63.9 58.8 69.0 65.8 87.2 47.6 47.0 43.4
qelative intensity 33.3 62.0 45.2 55.8 67.9 100.0 79.0 45.2 57.9 66.0 49.7 54.8 20.5 84.0 84.9 90.7
409
Poly(ethy1ene propy1ene)glycol
I I 1 " ' ' 1 I ' " ' 3 ~ F-, --,7-.-,
0 900 M i l 100 200 300 400 500 600 700 BOO
MIZ Ion Intensity (%)
41 42 43 44 45 57 58 59 71 72
20.0 11.3 40.0 23.3 99.3 24.0 21.3 66.0 16.7 21.3
MIZ
73 87 88 89 99 101 103 115 117 133
Ion Intensity (9%)
100.0 63.3 14.0 56.7 12.7 26.0 25.3 18.0 33.3 26.7
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range 40-1000
[s;;. 1 r n o ) Name 9003-1 1-6 POLY(ETHYLENE PROPYLENEGLYCOL)
I--
16384 SW 6494 NS 24
I
8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
(ppm)
41 1
Pol yolefins
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Applications
- 68037-12-7 - 80550 - None - CnH(nc2) - 500 - 600
- Poly(decene- l) , hydrogenated
- Colourless liquid, mp approx -68°C.
- Store at room temperature.
- Standard sample was supplied.
- Release agent. - PS, PP, PE.
GC Retention time
W U
m Y - Y
x
105.000
t \ I 88.000
1 I V V Y
Name : POLY -a-OLEFINS
PM Nr :80550 CAS Nr : 68037-12-7 KBr pellet
CAS NO. 68037-12-7
413
Pm Ref. No. 80550
POLY -a-O LE F I NS
Peak wavenumbed % T 723.4
802.5 1022.4
1095.7
1261.6
1466.1 2855.0
2924.4
2959.2
90.9
75.8
77.9
78.8
79.0
70.6 40.6
23.2
43.9
Relative intensity 11.8 31.5
28.8
27.6
27.3 38.3
77.3 100.0
73.0
414
Polyolefins
80
70
60
60
40
30
20
10
0-,-.
0 -A T ' 1 ' " ' " I 600 700 BOO 900
M/Z Ion Intensity (%)
43 55 57 69 71 83 85 97 99 111
38.0 18.0
100.0 20.6 86.0 21.3 66.0 20.7 30.7 14.7
MJZ
113 127 141 155 169 183 197 21 1 225 239
Ion Intensity (%)
24.7 18.0 16.7 16.0 15.3 14.0 13.3 12.7 12.7 12.7
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 40-1000
- . Name POLY-a-OLEFMS
I
16384 SW 6494 NS 16
8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 , 2.0 , , , J , , 1.5 , Ju 1.0 0.5 0.0
( P P 4
416
CAS No. - 71878-19-8 PM Ref. No. - 81200 Restrictions
Molecular weight
- SML = 3.0 mg/kg
- 600 when n= 1 Formula - C,,H,,N, when n = 1
Alternative names
Physical Characteristics - Slightly yellow granules, mp 100 - 135°C. - Soluble in most organic solvents.
Handling Safety Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Light stabilizer. - General use.
GC Retention time
105.000
84,000
63.000 W u
m Y Y .r(
E
5 42.000 c K
21.000
0.000 I I I I
4000.00 3280,OO 2560,OO 1840 .OO 1120 .oo 400.0 cm.'
Name : POLY [6-( 1,1,3,3,TETRAMETHYLBU?L)AMINO]-1,3,5-TRIAZINE-2,4-DIYL]-[(2,2,6,6- TETRAMETHYL-4-PIPERIDY L)IMINO]HEXAMETHYLENE[(2,2,6,6-TETRAMETHYL-4PIPERDY L) IMINO]
PM Nr : 81200 CAS Nr : 71878-19-8 KBr pellet
418
CAS NO. 71878-19-8 PM Ref. No. 81200
POLY[6-[(I ,I ,3,3TETRAMETHYLBUTYL)AMINO]-1,3,5-TRIAZINE- 2,4-DIYL]-[(2,2,6,6-TETRAMETHYL-4-PIPERIDYL)lMlNO]
HEXAMETHYLENE[(2,2,6,6-TETRAMETYL-4-PIPERlDYL)lMlNO]
Peak wavenumbei 424.4 478.4 61 1.5 644.3 696.4 81 0.2 804.7 1014.7 1082.2 11 30.4 11 65.2 1203.7 1221.1 1240.4 1307.9 1365.8 1423.6 1483.4 1531.7 1570.3 1555.1 1701.4 2862.7 2932.2 2955.3 2325.7 3443.4 3856.2
% T 90.0 73.2 94.8 82.1 85.1 53.9 87.9 80.7 73.5 82.6 61.2 47.0 39.5 34.7 31.7 19.6 14.4 7.20 6.70 11.6 68.9 82.2 46.5 22.7 19.3 87.0 73.7 91.1
3e I at ive intensity 10.7 28.7 5.6 19.2 16.0 49.4 13.0 20.7 28.4 18.6 41.6 56.8 64.8 70.0 73.2 86.2 91.7 99.5 100.0 94.7 33.3 19.1 57.3 82.9 86.5 13.9 28.2 9.5
419
Poly[6-[( 1,1,3,3-tetramethylbutyl)amino]- 1,3,5-triazine-2,4-diyl]-[(2,2,6,6-tetra-
methyl-4-piperidyl)-imino] hexamethylene[(2,2,6,6-tetramethyl-4-piperidyl)imino]
124 1
I 88
I i
! I
460
I
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 42 43 55 57 58 69 83 98 124
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
33.4 27.1 35.3 39.7 39.6
100.0 20.8 16.6 41.5 62.6
: VG Autospec : Probe inlet
: 70 eV : 350-400°C
: 25-1000
321 458 459 460 46 1 527 54 1 583 598 599
25.8 16.5 19.6 96.8 29.4 16.9 26.7 17.3 58.3 24.6
P h, 0
2,4-DIYL]-[(2,2,6,6-TETRAMETHYL-4-PIPENDYL)-IMINO] 250.13 HEXAMETHYLENE[(2,2,6,6-TETRAMETHYL-4-PIPE~D~)-IM~O]
SW 3125
42 1
Sebacic acid, bis(Zethylhexy1) ester
0 0 C~H~-CH-CH~-O-C-(CH+C-O-CH~-CH-C~H~ I / I I
8 C2H5 C2H5
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 00122-62-3 - 85120 - SML = 3.0 mg/kg - C*,H,rJO, - 426
- Decanedioic acid, bis(2-ethylhexyl) ester Di(Zethylhexy1) sebacate
- Colourless liquid, mp -48"C,
- Soluble in alcohol, acetone, benzene, ether. bp 212°C (1 mm Hg).
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC, PVDC, coatings.
- 51.1 min.
105 000
86 000
67 000 W
C
Y Y 4
5 5 48 000 c
x
29.000
10 000
1840.00 11 20.00 400.0 4000 00 3280.00 2560.00 cm"
Name : SEBACIC ACID, BIS(2-ETHYLHEXYL) ESTER
PM Nr : 85120 CAS Nr : 00122-62-3
P w w
KBr pellet
CAS NO. 00122-62-3
423
PM Ref. No. 85120
SEBACl C ACID, BI S(2-ETHY L-H EXY L) ESTER
Peak wavenum ber 416,7 428,3 1097,6 1 130,4 1174,8 1240,4 1358,l 1381,2 141 9,8 1464,2 1738,l 2860,8 2930,2 2959,2
% T 74,5 70,5 85,7 78,8 44,7 63,2 81 ,O 75,8 86,7 60,2 18,4 42,9 22,5 30,8
Relative intensity 31,3 36,2 173 26,O 67,8 45,l 23,3 29,7 16,3 48,8 100,o 70,O 95,O 84,8
424
100
80
60
40
2 0
57 I
100
MIZ
43 55 56 57 69 70 71 83 84 97
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
Sebacic acid, bis(2-ethylhexyl) ester
3 1,5 203 291
255 3-68 316 426 I 1 1
' 2 0 8 / I
I ' ' " ' ' ' " I ~ ' ' ' ' " ~ ' I ' ~ L 200 300 400
Ion Intensity (%) MIZ Ion Intensity (%)
48.9 49.7 19.5 87.0 23.8 64.5 45.0 21.9 13.9 16.1
: Finnigan Mat S S Q 700 : Capillary GCIMS : 180°C : 70 eV : 40-500
98 112 113 185 186 203 297 315 426
21.0 46.3 17.3
100.0 11.6 5.2 8.1
10.7 0.7
001 22-62-3 SEBACIC ACID, BIS (2-ETHYL-HEXYL) ESTER
$-
163 84
426
Sebacic acid, dibutyl ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
0 0
C4H9--O-C-@HafC-O-C4H9 I I I I
8
Alternative names
Physical Characteristics
Handling Safetv Availability
Current uses Applications
GC Retention time
- 00109-43-3 - 85360 - SML = 3.0 mg/kg - C,,H,404 - 314
- Dibutyl sebacate, Decanedioic acid dibutyl ester
- Colourless liquid, mp -1O"C, bp 344 - 345°C. - Soluble in ether, alcohol, acetone, benzene.
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC, PVDC.
- 50.0 min.
1 0 5 , 0 0 0
89.000
73,000 a
c m CI Y .A E
5 57.000 + x
41 ,000
25.000
4000,OO 3280,OO 2560.00 1840.00 1 1 2 0 . 0 0 4 0 0 . 0
cm”
Name : SEBACIC ACID, DIBUTYL ESTER
PM Nr :85360 CAS Nr : 00109-43-3 KBr pellet
428
CAS NO. 00109-43-3
SEBACIC ACID, DIBUTYL ESTER
Peak wavenumbei 409.0 474.6 499.6 51 1.2 951 .O 1024.3 1064.8 1097.6 I 130.4 11 74.8 1242.3 1356.1 1419.8 1466.1 1738.1 2858.9 2934.1 2959.2
Yo T 84.7 94.3 94.3 94.3 92.1 84.3 84.2 81.2 79.0 52.6 68.6 83.0 88.5 76.9 27.8 70.2 48.6 52.9
PM Ref. No. 85360
qelative intensity 21.1 7.9 7.9 7.9 11.0 21.8 21.9 26.0 29.0 65.6 43.4 23.5 15.9 32.0 100.0 41.2 71.1 65.2
429
100 -
80 -
60 -
40 -
.
Sebacic acid, dibutyl ester
41,
43 * I
98 125 143
5 0 100 150
M/Z
41 55 56 57 69 83 97 98 121
Ion Intensity (%)
56.4 45.3 49.0 36.6 21.3 16.1 25.1 25.4 10.7
2
/,;Jr,,, 215
200
M/Z
125 143 166 185 186 199 24 1 242
1
2 5 0 3 0 0
Ion Intensity (%)
23.5 25.9 16.9 71.6 10.0 21.3
100.0 15.6
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 25-500
00 109-44-3 SEBACIC ACID, DIBUTYL. ESTER
r [-i 16384
43 1
Sorbitan monolaurate
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Amlications
H OH
- 01338-39-2 - 87600 - None - C,*H,,O, - 346
- Sorbitan monododecanoate
- Yellow liquid, solidification point approx. 19°C. - Soluble in 2-ethoxy ethanol, methanol, ethanol,
ether.
- Store at room temperature.
- Standard sample supplied.
- Emulsifier. - General use.
GC Retention time
f h)
105.000
0 000 I I I I
4000 00 3280 00 2560.00 1840,OO 1120,oo 400 0 cm-'
Name : SORBITAN MONOLAURATE
PM Nr :87600 CAS Nr : 01338-39-2 KBr pellet
CAS NO. 01338-39-2
SORBITAN MONOLAURATE
Peak wavenumbei 978.0 1012.8 1076.4 1 174.8 1379.3 1417.9 1468.0 1741.9 2855.0 2924.4 31 59.8 3296.8 3339.2
% T 93.3 86.3 61.1 66.4 77.5 80.6 64.2 34.5 26.3 11 .1
84.0 51.8 46.2
433
PM Ref. No. 87600
qelative intensity 7.5 15.4 43.8 37.8 25.3 21.8 40.3 73.7 82.9 100.0 18.0 54.2 60.5
434
%age _. 104
& MIZ
128
100
41 43 45 55 57 69 71 73 83 84
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
Sorbitan monolaurate
Ion Intensity (%) MIZ Ion Intensity (%)
43.3 83.3 37.3 54.7
100.0 70.7 30.0 42.0 90.7 91.3
: VG Autospec : Probe inlet
: 70 eV : 350-400°C
40-1000
85 86 97 98 103 110 111 128 129 183
66.0 29.3 39.3 30.0 25.3 35.3 21.3 75.3 28.7 50.7
[E)(CASn') Name 01 338-39-2 SORBITAN MONOLAURAE
16384 SW 2380 NS
436
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
7 7
1; CH~-O-C+CH~~CH=CH+CH~~CH~ I
HO-CH
I I H OH
Physical Characteristics
Handling Safetv Availability
Current uses Apulications
Sorbitan monooleate
- 01338-43-8 - 87680 - None - C24H4406 - 428
- Sorbitan mono-9-octadenenoate
- Yellow liquid. - Soluble in 2-ethoxy ethanol, methanol, ethanol,
ether.
- Store at room temperature.
- Standard sample supplied.
- Emulsifier - General use.
GC Retention time
105 000
84.000
63.000 a
c m Y Y .A
E
5 42.000 + x
21,000
0.000
4000.00 3280,OO 2560.00 1840.00 1120.00 400.0 cm- '
Name : SORBITAN MONOOLEATE
PM Nr : 87680 CAS Nr : 01338-43-8 KBr pellet
P W 4
438
CAS NO. 01338-43-8
SORBITAN MONOOLEATE
Peak wavenumbei 410.9 723.4 846.9 949.1
1 109.2 1250.0 1300.2 1350.3 1462.2 1738.1 2754.7 2860.8 2924.4 3238.9 3329.5
% T 83.2 93.6 83.1 67.0 9.7 56.0 62.9 57.1 61.1 51 .O 86.5 18.4 17.4 83.6 73.2
Pm Ref. No. 87680
qelative intensity 18.6 7.1 18.7 36.5 100.0 48.8 41.1 47.6 43.1 54.3 14.9 90.4 91.5 18.2 29.7
439
Sorbitan monooleate
%age
so
80
70
60
50
40
30
45
8.9
133
, I 1 -
100 200 300 400 500
M E Ion Intensity (%)
41 43 45 50 55 57 59 69 70 71
17.3 30.0
100.0 10.0 26.7 20.0 12.0 27.3 10.7 12.0
MIZ
73 81 83 84 87 89 97 98 99 133
Ion Intensity (%)
38.7 13.3 18.0 13.3 25.3 41.3 14.7 12.7 12.0 22.7
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range 40-1000
[E) [-I 01338-43-8
44 1
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
Sorbitan monostearate
HO-CH
H
H OH
- 01338-41-6 - 87840 - None - C24H4606
- 430
- Sorbitan monooctadecanoate
- Pale waxy beads, mp 56 - 58°C. - Soluble in 2-ethoxy ethanol, methanol, ethanol,
ether.
- Store at room temperature. - Low toxicity. - Standard sample supplied.
- Emulsifier. - General use.
GC Retention time
105.000
a4 ooo
63 000 aJ 0 c m Y CI 3 E
5 42 000 c x
21 000
0 000
4000.00 32a0.00 2560.00 1 a40.00 1120 . oo 400.0 ern- '
Name : SORBITAN MONOSTEARATE
PM Nr :87840 CAS Nr : 01338-41-6 KBr pellet
CAS NO. 01338-41-6
SORBITAN MONOSTEARATE
Peak wavenumbei 611.5 721.5 781.3 887.4 922.1 983.8 1064.8 1 178.7 1 197.9 1221.1 1244.2 1379.3 1417.9 1468.0 1738.1 2851.1 2916.7 3308.3
% T 93.4 60.2 86.4 84.9 92.1 77.8 42.9 31.4 38.2 46.7 50.3 54.4 56.1 30.3 18.5 4.8 3.0
37.67
443
PM Ref. No. 87840
qelative intensity 6.8
41 .O 14.0 15.6 8.1 22.9 58.9 70.7 63.7 55.0 51.2 47.0 45.2 71.8 83.9 98.1 100.0 64.2
444
Sorbitan monostearate
90
80
70
60
50
40
30 :I 0
0 100 200 300 400 500 600 700
MIZ Ion Intensity (%)
41 43 45 55 57 69 71 73 83 84
33.3 86.7 70.0 58.0 94.0
100.0 56.0 70.7 40.0 25.3
MIZ
85 87 89 97 98 99 111 128 129 239
Ion Intensity (%)
70.0 36.0 34.7 48.0 62.0 30.7 34.0 95.3 45.3 33.3
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 40-1000
SORBITAN MONOSTEARATE
P R
446
Stearamide
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses
Applications
GC Retention time
- Note
- 00124-26-5 - 88960 - None - C,,H37NO - 283
- Octadecanoic acid, amide
- Slightly yellow cristalline powder, mp 109"C,
- Soluble in most organic solvents. bp 250 - 251°C.
- Store at room temperature.
- Standard sample was supplied.
- Antistatic agent, anti- slipping and blocking
- Polyolefins. agent.
- 44.5 min.
- Stearamide contains palmitamide.
105.000
W
c
Y Y d
E
c L
b-
x
84.000
63 .000
42,000
21.000
t- o 000
I I I I
4000 00 3280.00 2560.00 1840.00 1120.00 400,O
cm"
Name : STEARAMIDE
PM Nr : 88960 CAS Nr : 00124-26-5 KBr pellet
P P 4
448
CAS NO. 00124-26-5
434.0 441.8 524.7 549.8 650.1 71 9.5 800.6 1120.8 1188.3 1207.6 1228.8 1286.7 1306.0 1323.3 1377.3 1421.7 1469.9 1643.6 2849.2 2918.7 3194.5 3316.0 3393.2
PM Ref. No. 88960
STEARAMIDE
90.8 88.4 85.9 78.7 39.7 52.9 74.7 65.1 67.7 68.9 68.9 72.5 69.2 69.4 75.6 25.0 21.5 7.0 5.8
4.0 30.9 62.0 16.8
qelative intensity 9.6 12.1 14.7 22.2 62.9 49.1 26.3 36.4 33.6 32.4 32.4 28.7 32.1 31.9 25.4 78.2 81.9 96.9 98.2 100.0 72.0 39.6 86.7
449
59 100 7
80 -
60 -
4? 40 -
41
- 1 55 20 - 1
2 9
J , , i , l , 50
Stearamide
69 1
I , ~ , , I
I
I l l , , ,I1 9 L 1
2
1pZ 1156 ;70 184 98 212 ' 2514 2 6 6 I l l r I I
Ion Intensity (%) MIZ Ion Intensity (%)
10.2 21.3 36.2 11.6 17.5 15.3
100.0
: Finnigan Mat SSQ 700 : Capillary GUMS
60 18.3 72 64.9 128 8.9 240 3.9 283 4.3 284 0.7
Source Temperature : 180°C Electron Energy : 70 eV Scan Range : 25-500
R 0
00124-26-5 STEARAMIDE
I
16384
/-
45 1
Stearic acid, butyl ester
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
C H ~ ~ C H ~ ~ C - O - C ~ H ~ II
16
Handling Safety Availability
Current uses Applications
GC Retention time
- Note
- 00123-95-5 - 89120 - None - CzzH44O2 - 340
- Butyl stearate, Octadecanoic acid, butyl ester
- Colourless liquid, mp 16"C, bp 223°C. - Soluble in alcohol, ether, acetone.
- Store at room temperature.
- Standard sample was supplied.
- Lubricant. - General use.
- 44.9 min.
- Contains Palmatic acid, butyl ester.
105.000
87.000
69 000
x
33.000
15.000 I I
3280 00 2560 00
I I
1840 00 1120.00 400.0 4000.00
cm”
Name : STEARIC ACID, BUTYL ESTER
PM Nr : 89120 CAS Nr : 00123-95-5 KBr pellet
CAS NO. 00123-95-5
STEARIC ACID,BUTYL ESTER
453
PM Ref. No. 89120
Peak wavenumbei 474.6 509.3
526.6
534.4
544.0 551.7
561.4
571 .O 1172.9
1379.3
1468.0
1741.9
2855.0 2926.4
% T 94.8
94.6
94.7
94.4 94.4 94.6
94.1 94.2
75.8
84.3
73.1
43.9
41.8
22.2
ielative intensity 6.7
6.9 6.8
7.2
7.2
6.9
7.6 7.5
31 .I 20.2
34.6
72.1
100.0
74.8
454
100 -
80 -
60 -
.
40 -
Stearic acid, butyl ester
56
4 3 ?
28;
2 o L 50
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 42 43 55 56 57 70 71 115 129
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
26.9 8.1
42.6 28.2
100.0 93.4 5.8
14.9 7.1 8.4
: Finnigan Mat SSQ 700 : Capillary GUMS : 180°C : 70 eV : 40-500
171 185 199 24 1 267 284 285 286 340 34 1
3.8 6.6 1.9 6.9
23.4 24.0 32.7 8.0 5.8 1.7
[ E ) ( r ) Name 00 123-95-5 STEARIC ACID, BUTYL ESTER
I
16384 SW 6494 NS I .
Y I
456
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Stearic acid, esters with pentaerythritol
L 4
- 08045-34-9 and 001 15-83-3 - 89520 - None
- 1202 - C77H,4808
Alternative names - Pentaerythritolstearate
Physical Characteristics - White crystalline powder, mp approx. 60 "C,
- Soluble in dichloromethane, chloroform, ether, bp approx. 280°C.
toluene, hexane.
Handling Safety Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Release agent. - General use.
GC Retention time
105 000
8 1 000
63 000 OI " c
Y Y 3 E
4 2 000 c
x
21.000
0 DUO
3280 00 2560 00 1840 00 1120 00 400 0 4000 00
Name : STEARIC ACID, ESTERS WITH PENTAERYTHRITOL
PM N r : 89520 CAS Nr : 08045-34-9 KBr pellet
R 4
458
CAS NO. 08045-34-9 and 001 15-83-3 PM Ref. No. 89520
STEARIC ACID, ESTERS WITH PENTAERYTHRITOL
Peak wavenumbei 557.5 580.6
71 9.5 877.7
889.3
985.7
101 8.5
1062.9 11 05.4
1174.8
1197.9
1219.2
1236.5 1361.9
1396.6
141 5.9
1471.9
1738.1
2851 .I 2916.7
% T 94.4 89.5
49.6
86.5
83.3
68.8 60.6
62.2
42.2
28.1
33.2 39.4
40.7 47.4 51.6
54.1
30.0
19.8
13.0
8.4
ielative intensity 6.1
11.5
55.0 14.7 18.2
34.1 43.0
41.3
63.1
78.5 72.9
66.2
64.7
57.4 52.8
50.1 76.4
87.6
95.0
100.0
(z)(C*Tnl) Name 08045-34-9 STEARIC ACID, ESTERS WITH PENTAERYTNTOL
\
Solvent CDCL3 SF 250.13 s1 16384 SW 6494 NS 50
u
8 5 8 0 7 5 7 0 6 5 6 0 5 5 5 0 4 5 4 0 3 5 3 0 2 5 2 0 1 5 1 0 0 5 0 0
(PPm)
460
Stearoylbenzoylmethane
0
16
CAS No. - 58446-52-9 PM Ref. No. - 90720 Restrictions - None Formula - CZ6H4ZOZ Molecular weight - 386
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 1 -Benzoyl-2-keto-nonadecane
- White powder, mp 56 - 61"C,
- Soluble in most organic solvents. bp 300°C (21 mm Hg).
- Store at room temperature.
- Standard sample was supplied.
- Stabilizer. - PVC, PVDC.
- 54.7 min.
m e - Contains also laurylbenzoylmethane.
105.000 n
87 000 m
15.000 I I I I
3280 00 2560.00 1840 00 1120 00 400 0 4000 00
Name : STEAROYLBENZOYLMETHANE
PM Nr : 90720 CAS Nr : 58446-52-9
cm-'
KBr pellet P s
462
CAS NO. 58446-52-9
STEAROYLBENZOY LMETHANE
Peak wavenumbei 420.5 729.2 762.0 771.6 1464.2 1473.8 1493.1 1547.1 1576.0 1626.2 2849.2 2916.7
2955.3
% T 66.5 88.2 78.8 81.7 70.6 73.9 82.8 86.0 82.0 67.9 30.2 19.8
71.6
PM Ref. No. 90720
qelative intensity 41.8 14.6 26.4 22.8 36.6 32.6 21.4 17.5 22.4 40.1 87.0
100.0 35.4
463
I , . I r
Stearoy lbenzoy lmethane
M/Z Ion Intensity (%) M/Z
41 11.2 147 43 20.9 161 55 11.8 162 69 29.2 163 77 9.15 175 105 83.0 368 120 11.1 386
Ion Intensity (%)
32.3 16.1
100.0 11.0 6.6 3.7 2.2
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat SSQ 700
Scan Range : 25-500
[=)[-) Name 58446-52-9 STEAROYLBENZOY LMETHANE
P Q\ P g-j 16384
465
Sulphosuccinic acid, bis(2-ethylhexyl)ester, sodium salt
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
- 00577-11-7 - 91572 - None - C,H,,NaO,S - 444
- Docusate sodium
- Yellow liquid, mp < O'C, bp 360°C. - Soluble in most organic solvents.
- Store at room temperature. - Irritant. - Preparation in alcoholic solution.
- Emulsifier, antistatic agent. - Styrene co-polymers, coatings.
GC Retention time
105.000
88,000
71.000 W 0
Id Y CI .* E
54.000 +- x.
37,000
20.000 I I I I
1840.00 1120.00 400.0 4000.00 3280.00 2560.00 cm-'
Name : SULPHOSUCCINIC ACID, BIS(2-ETHYLHEXYL) ESTER, SODIUM SALT
PM Nr : 91572 CAS Nr : 00577-1 1-7
KBr pellet
CAS NO. 00577-11-7
467
PM Ref. No. 91572
SULPHOSUCCINIC ACID, BlS(2-ETHYLHEXYL)ESTER
Peak wavenumbe 409.0 528.6 586.4 729.2 900.9 101 8.5 1051.3 1219.2 1381.2 1466.1 1738.1 2862.7 2930.2 2961.1
% T 90.3 87.5 88.1 88.9 73.7 71.1 36.9 26.0 69.8 60.1 25.9 54.9 35.2 32.6
Relative intensitv 13.1 16.9 16.1 15.0 35.5 39.0 85.2 99.9 40.8 53.9 100.0 60.9 87.5 91 .o
468
.no
(5.
YO.
85
80
15.
10
65.
601
55.
50.
45.
40.
35.
301
25.
2 0.
Sulphosuccinic acid, bis(2-ethylhexyl)ester, sodium salt
I 6 . 1 r T PHY 15 10
M/Z Ion Intensity ( %) M/Z Ion Intensity (%)
41 42 43 44 55 56 57 69 70 71
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
43.7 9.2
41.0 12.5 46.5 21.8 79.2 23.2
100.0 38.4
82 83 84 85 99 100 112 113 117 21 1
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
18.5 26.8 14.9 10.2 25.2 37.9 71.4 17.9 9.0
18.2
00577-11-7 SULPHOSUCCINIC ACID, BIS(2-ETHYLHEXn) ESTER, SODIUM SALT
16384 'L Y
1 8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4 0 3.5 3 0 2.5 2 0 1.5 1.0 0.5 0.0
(PPm)
470
Tetrakis(2,4-di-tert-butylphenyl)-4,4’-biphenylylene diphosphonite
CAS No. PM Ref. No. Restrictions Formula Molecular weight
tert. Butyl tert. Butyl
tezt. Butyl tert. Butyl
tert. Butyl tert. Butyl
tert. Butyl tert. Butyl
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
- 38613-77-3 - 92560 - SML = 18 mg/kg - CaH9204P2 - 1035
- Slightly yellow pastilles, mp 75 - 95°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Plastic stabilizer. - Polyolefins, styrene co-polymers, PC.
- Also known as CAS No. 118578-01-1 and
- Contains PM Ref. No. 74240 119345-01-6
105.000
91,000
77.000 u u
m Y Y .4 E
5 63.000 + x
49.000
35.000
4000.00 3284 00 2568 00 1852 . O O 1136.00 420.0 cm-'
Name : TETRA KIS (2,4-DI-TERT-B UTY LPHENY L)-4,4'-BIPHENYLY LENE DIPHOS PHONITE
PM Nr :92560 CAS Nr :38613-77-3
KBr pellet P =!
412
CAS NO. 38613-77-3 PM Ref. No. 92560
TETRAKIS (2,4-DI-TERT-BUTYLPHENYL)-4,4'-BlPHENYLYLENE DIPHOSPHONITE
Peak wavenumbe 451.4 463.0 495.8 538.2 576.8 644.3 688.7 771.6 814.1 850.7 889.3 906.7 1084.1 1124.6 1 155.5 1 192.2 1211.4 1248.1 1275.1 1361.9 1400.5 1462.2 1493.1 1601.1 1728.4 2868.5 2907.1 2959.2
% T 94.7 94.4 86.4 91.3 87.8 82.2 75.1 64.2 67.0 43.8 80.1 63.7 47.8 75.7 75.6 48.0 51.2
66.63 66.38 64.96 70.49 70.41 46.57 85.27 84.57 62.80 59.82 39.66
qelative intensity 8.8 9.2 22.6 14.4 20.2 29.5 41.3 59.4 54.7 93.1 33.0 60.1 86.5 40.3 40.4 86.3 80.8 55.3 55.7 58.1 48.9 49.0 88.5 24.4 25.6 61.6 66.6 100.0
473
389
333
L 1 I I 1
1.1E5
1.9E4
5.3E4
2.6E4 6 4 6
I , , O.OEO
Tetrakis(2,4-di-tert-butylphenyl)-4,4’-biphenylylene diphosphonite
PM92560
1
44 1
1034
5.OE5
4.185
4.585
4.285
3.9E5
3.7E5
3.4E5
3.2E5
2.9E5
2.6E5
2.4E5
2.1E5
1.8E5
1.6E5
1.3E5
M/Z
41 43 55 57 58 74 91 147 149 175
Ion Intensity (%)
8.4 54.3
8.3 100.0 28.1 5.4 9.2
15.1 6.7 6.1
M/Z
191 192 206 333 389 390 44 1 442 646
Ion Intensity (%)
84.3 11.9 13.2 8.2
20.1 6.6
77.3 27.0
8.1
Spectrometer : VG Autospec Inletsystem Source Temperature : 250°C Electron Energy : 70 eV
: Flow injection particle beam MS
Scan Range : 40-1000
P 4 P
386 13-71-3 TETRAKIS(~,~-DI-~~I~-BUTYL-P€ENYL)-~,~'-BIPHENYLYLENE DIPHOSPHONITE
, . , I . ,
8 . z 7 . a 7 . 4 7 .O
475
t e r t . Butyl< , t e r t . Butyl
\ / CH3 CH3
CAS No. - 00096-69-5 PM Ref. No. - 92800 Restrictions - SML = 0.48 mg/kg Formula - CzzH3002S Molecular weight - 358
Alternative names - 4,4’-Thiobis(6-tert-butyl-m-cresol), Di(2-methyl- 4-hydroxy-5-tert-butylphenyl) thioether
Physical Characteristics - White to light yellow crystalline powder,
- Soluble in most organic solvents. mp > 158°C.
Handling Safety Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - Polyolefins, styrene co-polymers.
GC Retention time - 50.3 min.
L==
c 0 0
L- o
c1 C 0
9 m
0 0 0
m ro
c)
0 0
N
0
0 0 f
0 0
0 h .-- -
0 0
9
2
0 0
0 ro Ln nl
0 C
0 m c\,
m
0 0
0 0 0 \-
C c
c;
477
CAS NO. 00096-69-5 PM Ref. No. 92800
4,4'-TH IOBIS(6-tert-BUTY L-3-M ETHYLPH E NOL)
Peak wavenumber 426,3 461 ,O 51 1,2 571 ,O 586,4 628,9 735,O 848,8 898,9 933,7 995,4 1014,7 1028,2 1099,6 1 169,O 1 186,4 1 199,9 1255,8 1265,5 1315,6 1371,6 1446,8 1483,4 14950 1562,5 1601,l 2708,4 2868,5 2916,7 2961,l 3001,6 3065,3 31 17,4 3296,8 3510,9
Yo T ld,3 40,7 60,3 30,8 413 45,O 63,9 17,6 24,4 74,9 73,8 493 51,4 13,7 4,9 2,s 2,6 8,1 7,1 46,9 2 3 9,6 16,l 153 27,8 31 ,O 85,6 203 155 6,O 31,3 81,4 81,4 83 6,6
Relative intensity 82,8 60,8 40,7 71 ,O 60,O 56,4 37,O 84s 77,6 25,8 26,9 51,8 49,9 88,5 97,6 100,o 99,9 94,3 953 543 100,o 92,8 86,l 86,7 74,l 70,8 14,8 81,3 86,7 96,4 70,5 19,l 19,l 93,8 95,8
47 8
20 -
1!6 343 I
164
M/Z Ion Intensity (%) M/Z Ion Intensity (%)
1 5 0
41 4.8 57 8.1 91 4.1 136 26.6 150 9.5 164 17.4 179 8.0
195 343 344 358 359 360
5.0 24.3 5.4
100.0 20.6 6.3
Spectrometer : Finnigan Mat SSQ 700 Inletsystem : Capillary GUMS Source Temperature : 180 O C Electron Energy : 70 eV Scan Range : 35-500
4,4'-THIOBIS(6-TERT-BUTYL-3-METHYLPHENOL) Solvent CDCL3 SF 250.13 SI 16384 SW 3125 NS 64 -
480
Thiodiethanol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate)
t e r t . Butyl, I
t e r t . B u t y i
J 2
CAS No. - 41484-35-9 PM Ref. No. - 92880 Restrictions - SML = 2.4 mg/kg Formula - C,*H,*O,S Molecular weight - 642
Alternative names - Benzenepropanoic acid, 3,5( 1,l-dimethylethy1)- 4-hydroxy-,thiodi-2, l-ethanediyl ester
Phvsical Characteristics - White cristalline powder, mp 63 - 67°C. - Soluble in most organic solvents.
Handling, Safetv Availability
Current uses Applications
- Store at room temperature. - Toxic. - Standard sample was supplied.
- Antioxidant. - Styrene co-polymers, polyolefins.
GC Retention time - 75.7 min.
48 1
482
CAS NO. 41484-35-9 PM Ref. No. 92880
THIODIETHANOL BIS(3-(3,5-DI-tert-BUTYL-4- HYDR0XYPHENYL)PROPIONATE
Peak wavenumber 410,9 436,O 464,9 61 9,2 642,4 671,3 767,8 829,5 848,8 879,7 904,7 931,7 966,5 985,7 1026,3 1055,2 1 120,8 1 147,8 1 186,4 1203,7 1236,5 1273,2 1286,7 1300,2 1346,5 1361,9 1379,3 1435,2 1738,l 2882,O 2914,8 2937,9 2955,3 3454,9 3591,9
Yo T 88,7 84,3 83,6 86,6 80,4 89,l 63,5 90,4 85,4 57,3 86,9 80,2 78,9 66,6 78,6 52,O 26,6 19,l 28,4 24,l 30,5 62,5 44,2 58,l 45,9 52,2 41,2 24,6 14,3 44,l 36,l 29,7 24,6 83,9 35,9
Relative intensity 13,2 18,3 19,1 15,6 22,9 12,7 42,6 11,2 17,0 49,8 15,3 23,1 24,6 38,9 25,0 56,0 85,6 94,3 83,5 88,5 81 ,O 43,7 65,1 48,9 63,1 55,7 68,6 87,9 99,9 65,2 74,5 82,0 87,9 18,8 74,7
483
Thiodiethanol bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate)
I !
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
41 43 55 57 87 105 145 147 203 217
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
41.1 34.4 30.1
100.0 32.5 24.5 25.2 31.3 39.3 23.9
219 233 249 263 278 304 308 364 642 643
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
67.5 20.9 39.9 91.4 25.8 20.9 39.9 20.9 13.5 4.8
P 00 P
[E) ("*"") 41484-35-9 THIODIETHANOL BIS(3-(3,5-DI-TERT-BUTYL-
4-HYDROXYPHENYL,) PROPIONATE)
r----
16384 SW 3125 NS 44
485
Thiodipropionic acid, didodecyl ester
r
1
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
1
2 J
- 00123-28-4 - 93120 - SML = 3.0 mg/kg - C,,H,,O,S - 515
- Propanoic acid, 3,3’-thiobis-, didodecyl ester
- White powder, mp 38 - 40°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Co-stabilizer. - General use.
- 70.0 min.
486
i f
i 0 0 0
Ln z
0 0 D
m m
0 0 0
P, m
0 0
0
2 -
0
0 T
9
m c
0 0
0 \D Ln
N
0 0
0
N m m
0
0 0 0
0 - 0 0
0 N
9
T 8 m
2 .. 2 Y V
8
2 E
E ..
a
CAS NO. 00123-28-4
487
PM Ref. No. 93120
THlODlPROPlONlC ACID, DIDODECYL ESTER
Peak wavenumber
436
501,6
675,2
71 9,5
785,l
933,7
954,9
964,5
983,8
1016,6
1051,3
1101,5
1172,9
1238,5
1352,3
1396,6
1423,6
1466,l
1738,l
2851,l
2918,7
2955,3
% T
78,2
93,7
92,O
77,2
759
82,8
79,8
773
83,8
84,6
74,4
85,4
26,O
40,8
47,8
744
69,O
65,7
27,9
33,l
26,O
43,O
Relative intensitv
29,4
8 3 10,8
30,8
32,5
23,2
27,3
30,4
21,9
20,8
34,6 19,7
99,9
79,9
70,5
34,6
41,9
46,3
97,3
90,3
100,o
77,O
488
55 100
8 0
60
40
2 0
M/Z
43 55 56 57 69 71 73 83 85 89
Spectrometer Inletsystem
i;i
Source Temperature Electron Energy Scan Range
Thiodipropionic acid, didodecyl ester
1
178 I
I
,j ro',,)24;,q7i,, , , 1 9 ; '267
200 300
5 1%
$7 441
400 500
Ion Intensity (%) M/Z Ion Intensity (%)
82.7 100.0 30.5 79.9 41.5 38.6 24.0 28.8 19.2 21.4
: Finnigan Mat S S Q 700 : Capillary GUMS : 180°C : 70 eV : 35-600
97 105 111 132 143 161 178 329 514 515
35.9 12.2 11.9 18.3 37.6 23.8 29.7 5.5 3.8 1.2
489
L
490
Thiodipropionic acid, ditetradecyl ester
2
CAS No. - 16545-54-3 PM Ref. No. - 93360 Restrictions - SML = 3.0 mg/kg Formula - C34H65O4S Molecular weight - 570
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Applications
- Propanoic acid, 3,3’-thiobis-, ditetradecyl ester
- White crystalline powder, mp 50°C. - Soluble in most organic solvents.
- Store at room temperature.
- Standard sample was supplied.
- Stabilizer. - General use.
GC Retention time - 67.9 min.
49 1
0 0 0
0 - 0
0
0 0 0
7 0 N
0 0 0
N w
0 0 0
m \D
0 0 0
v
0 0 0
Ln 0 m 7
a3ueqTrwsueJl x
0
0 0 v
0 0
0 N
c c
0 0
0 v
m
0 0
0 L n Ln N
0 0
0
N m m
0 0
492
CAS NO. 16545-54-3 PM Ref. No. 93360
THlODlPROPlONlC ACID, DITETRADECYL ESTER
Peak w aven u m be 412.8 439.8 451.4 719.5 729.2 785.1 954.9 964.5 989.6 1032.0 1049.4 1072.6 1 107.3 1172.9 1238.5 1259.7 1352.3 1396.6 1423.6 1464.2 1473.8 1738.1 2330.3 2849.2 291 8.7 2955.3 3441.4
% T 86.2 87.1 74.5 62.6 65.5 65.4 68.0 63.0 78.3 79.9 54.6 70.1 79.3 3.6 11.6 55.5 19.5 57.0 50.8 40.5 39.3 7.3 87.3 3.0 1.7 12.8 91.2
3elative intensity 14.0 13.1 26.0 38.0 35.1 35.2 32.5 37.7 22.1 20.5 46.2 30.4 21 .I 98.0 89.9 45.2 81.9 43.7 50.0 60.5 61.7 94.2 13.0 98.6 100.0 88.7 8.9
493
Thiodipropionic acid, ditetradecyl ester
80 -
60 -
40 -
20 -
69
100
M/Z
43 55 57 69 71 73 82 83 85 89
I
I 178 I , \ , I !;,5, ;!;, ~ , , , :5iy :;:, I , , , , , , , , , , , , , , , , 2 0 0 3 0 0 400 500
Ion Intensity (%) M/Z Ion Intensity (%)
100.0 89.8 76.4 35.2 29.8 25.7 10.1 25.3 15.5 17.2
Spectrometer Inletsystem
: Finnigan Mat SSQ 700 : capillary GUMS
Source Temperature : 180°C Electron Energy : 70 eV Scan Range : 40-700
97 105 133 143 161 178 269 357 570
17.7 9.0
32.7 31.1 17.5 27.2 4.5 5.4 3.0
494
495
Triethgl acetglcitrate
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
- 00077-89-4 - 94240 - None - C,,HZZO, - 318
- 1,2,3-Propanetricarboxylic acid, 2-(acety1oxy)-, triethyl ester
- Colourless liquid.
- Soluble in most organic solvents. bp 228 - 229°C (100 mm Hg).
- Store at room temperature.
- Standard sample was supplied.
- Plasticizer. - PVC, PVDC.
- 32.7 min.
496
-=-
-
I I I I I I
- 'E
00 0 9c
0 0
0
2 c
0 9 9 ??
0
0 a ln N
9
0
0 9
m w
8
w,
0 0 0
ln
51
0 0 0
b a
0 0 0
* m
0
8 m N
0 0 0
0 c
CAS NO. 00077-89-4
TRIETHYL ACETYL CITRATE
Peak wavenumbei 414.8 428.3 488.1 603.8 655.9 783.2 860.4 1028.2 1097.6 1142.0 1 186.4 1286.7 1346.5 1371.6 1446.8 1743.9 2910.9 2941.8 2984.2
% T 87.4 89.8 94.7 92.6 92.7 92.1 91.3 52:O 77.5 66.4 35.5 53.4 72.2 54.5 80.5 21.1 88.3 82.8 73.2
497
PM Ref. No. 94240
3elative intensity 16.0 12.9 6.7 9.4 9.3 10.0 11.0 60.9 28.6 42.6 81.8 59.0 35.3 57.7 24.7 100.0 14.9 21.8 34.0
49 8
1
1 8 5
JLk 2
Triethyl acetylcitrate
100
80
60
40
2 0
3
141
c, 150
MIZ Ion Intensity (%)
29 39.6 43 90.6 115 21 .o 130 7.6 139 10.8
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 25-350
3
213
',r5, ~, 2 i 5 , , , , ';?, , , , I , , ,
250 3 0 0
MIZ Ion Intensity (%)
157 100.0 158 8.4 203 44.3 213 13.2 273 6.5
499
i 1 J
\ - \
I
500
Triethyleneglycol bis(3-(3-tert-butyl-4-hydroxy-5-methylphenyl) propionate)
CAS No. PM Ref. No. Restrictions Formula Molecular weight
1 ter t . B u t y i L
Alternative names
Phvsical Characteristics
Handling Safety Availability
Current uses Auulications
GC Retention time
- 36443-68-2 - 94400 - SML = 3.0 mg/kg - C34H5008 - 586
- Ethylene bis(oxyethylene)-bis(3-tert-butyl-4- hydroxy-5methylhydrocinnamate)
- Slightly yellow granules, mp 76 - 79°C. - Soluble in acetone, benzene, methanol,
chloroform.
- Store at room temperature.
- Standard sample was supplied. - Harmful.
- Antioxidant. - PVC, PVDC, PA, styrene co-polymers,
polyesters, polyacetals.
- 71.9 min.
50 1
7=- L.-.--
0 x 0 m
0 '31
0 0
0
L m x
CAS NO. 36443-68-2 PM Ref. No. 94400
TRIETHYLENEGLYCOL BlS-3-(3-tert-BUTYL-CHYDROXY- 5-METHYLPHENYL)PROPIONATE
Peak wavenumber 414,8 4553 495.8 524.7 5546 586,4 599.9 648.2 873,2 7542 7948 821,8 833.4 856.5 870,O
W , 9 943.3 9644 9893 1030,l 1041.7
1057,l 1070.6 1086.1 1107,3 1126,6 1143.9 1155.5 ll96,O 1225.0 1252,O 12751 1292,5 1331.0 1344.6 1365,s 1388.9 1419,8 1431,4 1442.9 1450.4 1485.4 1597,3 1682,l
1753.5 2359,2 2660,2 2822,2 2882.0 2912,9 2949,5 2995.8 3375,8 3480 3750.1
3800,2 3852,3 3869.7
% T 82,4 49,3 76,2 59,8 75,7 81,4
72,s 71,9
e3,2 33.9 89$ 74,6 59,7 86.4 24,2
544 33,l 57,4 70,O
441 52.5 22.7 40.0
43.4 72 9,6 6.7 4,7 2.5 8,6 31.4 30,8 41,s 40,3 30,2 28,7 29.6 35.4 23,O 20,9 28.4
20.9 78,i
843
85.9 89,4
58.8 30,7 12,9 14.5 32,6 51,O 17,7
83.5 858 85.1 57,l
7,2
lelative intensity 18,l 52,O 24.4
412 24,9 l9,l 27.9 28,8 17.2 67,8 313 28,l 41,3 35.5
77.8 45.9 68.6 43.7
30.8 57,4
48,7 79,3 81,6
58.1 95,2 92,s 957 97,s 1w,o 93,8 70.4 71 ,O 59.7 81,3 71,B 752 '
72.2 66,3 79,O 81,2 73.5 81.2
22.5 12.0 95.2 14.5 io,9 32.0 71,l 89.4 87.7 692 40,O
84.4 16.9 14,6 15,3 13.2
503
Triethyleneglycol bis(3-(3-tert-butyl-4-hydroxy-5-methylphenyl) propionate)
100 1
1 8 0
161
i 190
I 1 247 1 I 20
530
100 1 / , , , 1 , 1 : , , I / , , ) , , , / , , ,
2 6 9
, ( , , , , , , , , , , , , ! , / , , / I 5? 0
I
281 3:2 350
200 300 400 500
MIZ Ion Intensity (%) MIZ
41 43 45 57 87 161 162 163 175 177
12.5 13.5 13.7 40.2 22.7 88.5 14.6 21.2 25.0
100.0
178 190 207 217 262 263 368 530 586
Ion Intensity (%)
11.6 68.3 11.4 20.5 9.4
15.8 25.7
1.6 2.6
Spectrometer Inletsystem : Capillary GCIMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-700
VI 0 P
36443-68-2 TRIETHYLENEGLYCOL BIS-3-(3-TERT-BUTYL-4- HYDROXY-5-METHYLPHENYL)PROPIONATE -
- Solvent CDCL3 SF 250.13 SI 16384 SW 3125 NS 76 -
505
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
Physical Characteristics
Handling Safety Availability
Current uses Applications
GC Retention time
1 , 1 , 1-Trimethylolpropane
OH I CH2 I
C2H5-b-CH2-OH I CH2 I
OH
- 00077-99-6 - 94960 - SML = 6.0 mglkg - C,H,,O, - 134
- 1,1,1 (Trihydroxymethy1)propane 2,2(Dihydroxymethyl) butanol
- White flaked solid, mp 59"C, bp 297°C. - Soluble in water, alcohol, acetone.
- Store at room temperature.
- Standard sample was supplied.
- Stabilizer. - PVC, PVDC, PU, Polyesters.
- 20.4 min.
506
if
* 9 'a 5 0
0
0 9
c! c
0
9 !? z
0
0 \D In N
9
0
0
N m
9 m
0 0
0 0 0
0 - 0 0
0
0 0 0
m N
0 0 0
w
0 0
p1 L n
0 .O 0
u3
0 0 0
In c
m 9
m z
CAS NO. 00077-99-6
1,1,1 -TRIMETHYLOLPROPANE
507
PM Ref. No. 94960
Peak wavenumber 409
422,5 538,2 576,8 638,5 684,8 767,8 783,2 866,l 960,7 989,6 1016,6 1064,8 1 176,7 1 196,O 1292,5 1346,5 1439,l 1460,3 1475,7 1489,2 2675,6 2762,4 2858,9 2883,9 2934,l 2968,8 31 19,3 3152,l 3217,7 3233,l 3271,7
Yo T 65,3 73,2 71,4 59,7 49,8 46,4 49,8 45,5 86,4 53,9 30,9 19,o 25,4 71,8 67,l 61,l 433 58,l 52,O 47,8 49,8 79,7 72,3 46,2 45,3 34,5 40,8 50,7 42,3 29,6 25,8 23,5
Relative intensity 42,9 33,1 35,3 49,8 62,0
66,2 62,0 67,3 16,8 56,9 85,3 100,0 92,1
34,8 40,6 48,0
51,7 59,3 64,5 62,0 25,1
34,2 66,4 67,6 80,9 73,1
60,9 71,3 86,9 91,6 94,5
69,a
508
100
80
60
40
20
1 , 1 , l-Trimethylolpropane
8
7 1 73
\ * , , , , , , , “‘I i , i , 7 7 I , 77 i , , , , , 8 ~ , ,
60 7 0 80
MIZ Ion Intensity (%) MIZ
41 43 44 45 53 55 56 57 58 67
31.3 21.6 9.8 5.3 6.6
32.6 4.6
100.0 9.0 8.8
68 69 70 71 73 75 77 83 86 87
li,
Ion Intensity (%)
13.4 9.6
11.8 16.6 16.4 9.9 6.8 4.7
62.7 5.1
Spectrometer Inletsystem : Capillary GUMS Source Temperature : 180°C Electron Energy : 70 eV
: Finnigan Mat S S Q 700
Scan Range : 40-500
509
I
\
510
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
t e r t . Butyl t e r t . Butyl
t e r t . Butyl
HO
t e r t . Butyl
CAS No. PM Ref. No. Restrictions Formula Molecular weight
Alternative names
- 01709-70-2 - 95200 - None
- Phenol, 4,4' ,4"-((2,4,6-trimethyl- 1,3 3- benzenetriy1)-tris(methy1ene)) tris(2,6-bis( 1,l- dimethylethy1))-
Phvsical Characteristics - White powder, mp 240 - 245°C. - Soluble in most organic solvents.
Handling Safety Availability
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - General use.
GC Retention time
51 1
0 0
8 8 0 0
P- v)
8 0
P-
8 0 0 0
v)
0 L n N c
g. m cn m
0
? 0 N -
0 0
0 -?
DD
0 0
0
N 4
s 0
N m m
0 0
Y
P 1
512
CAS NO. 01709-70-2 PM Ref. No. 95200
1,3,5-TRIMETHYL-2,4,6-TRlS(3,5-DI-tert.BUTYL-4- HY DROXY BENZY L)BENZENE
Peak wavenumber 414,8 424,4 4493 505,4 588,4 621,2 769,7 787,l 870,O 889,3 1024,3 1120,8 1 153,6 1209,5 1226,9 12363 1317,5 1360,O 1390,9 1435,2 2872,4 2912,9 2957,2 36303 3649,8
% T 85,O 87,7 93,O 94,4 92,7 93,6 79,2 84,O 77,6 88,6 89,5 61 ,O 573 68,7 52,3 56,4 78,l 74,O 76,l 33,O 61,O 54,3 32,l 67,3 59,2
Relative intensity 22,l 18,l 10,3 8 2 10,8 9,4 30,6 23,6 33,O 16,8 153 57,4 62,6 46,l 70,3 64,2 32,3 38,3 35,2 98,7 57,4 67,3 100,o 48,2 60,l
513
1 ,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
%age
0 200 400 600
9
" I 800
MIZ Ion Intensity (%) MIZ Ion Intensity (%)
54 25.3 153 6.0 191 5.3 206 20.0 48 1 12.7
Spectrometer : VG Autospec Inletsystem : Probe inlet Source Temperature : 350-400°C Electron Energy : 70 eV Scan Range : 40-1000
482 5.3 676 13.3 677 8.7 729 100.0 730 73.3
514
i
1
i
515
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxyben~l)-l,3,5-triazine-2,4,6(lH,3H,5~ trione
t e r t . Butyl ,$, e l t . Butyl
CH2
ov+ I 1
t e r t . Bucyl
t e r t . Butyl OH
test. Butyl HO t e l t . BUtyl
CAS No. - 27676-62-6 PM Ref. No. - 95360 Restrictions - SML = 5.0 mg/kg Formula - C48H6!3N306
Molecular weight - 784
Alternative names
Physical Characteristics - White powder, mp 219.5 - 225.5"C. - Soluble in acetone, benzene, chloroform.
Handling Safety Availabilitv
Current uses Applications
- Store at room temperature.
- Standard sample was supplied.
- Antioxidant. - General use.
GC Retention time
516
- 0 0 8 0
t
0 0
0 N - -
0 3
0 t
m -
0 0
0 rr" Ln nl
0 0
0 00 n1 m
0 0
0 n 0 CI CI C U 0 0 a 2
3 0 D
CI 0 c)
CI 0 0
CAS NO. 27676-62-6
517
PM Ref. No. 95360
1 ,3,5-TRIS(3,5-DI-tertt-BUTYL-4-HYDROXYBENZYL)-l ,3,5- TRIAZINE-2,4,6( 1 Hl3H,5H)-TRIONE
Peak wavenumber 420,5 451,4 490,O 657,8 669,4 763,9 792,8 814,l 889,3 1122,7 1167,l
11 97,9
1213,4 1236,5 131 5,6 1360,O 1390,9 1439,l 1452,6 1603,O 1691,8 2876,2 291 6,7 2961,l
3377,8
3557,2
363a,2
% T 73,9 57,8 57,6 88,l 757 49,l 75,O 86,7 57,5 42,8
41,9 60,O
40,9 33,6 25,6 29,7 65,6 10,7
8 2 90,2
7,3 54,6 46,l 22,9
90,o 68,2
38,2
Relative intensity 28,2 455 457 128 26,2 54,9 27,O 14,4 459 61,7 62,7 43,2
638 71,6 803 759 37,l 96,4 99,l 10,6 100,o 49,O 58,2 83,2 10,8 34,3
66,7
518
1 ,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)- 1,3,5-triazine-2,4,6( 1 H ,3H, 5H)trione
Z.QE6
1.7E6
1.5E6
1.2E6
8.7E5
2.9E5
0. QEO
M/Z Ion Intensity (%) M/Z Ion Intensity (%)
41 43 55 57 91 105 119 133 145 147
Spectrometer Inletsystem Source Temperature Electron Energy Scan Range
36.2 44.8 17.2 20.9 21.5 17.8 23.3 17.2 17.2 19.0
161 162 175 190 203 205 219 220 784 785
: VG Autospec : Flow injection particle beam MS : 250°C : 70 eV : 40-1000
100.0 18.4 44.2 23.3 81.6 17.2 49.1 30.7 16.0 8.6
21616-62-6 1 , 3 , 5 - ~ S ( 3 , 5 - D I - T U T ~ ~ - H Y D R O X Y B E N Z Y 1,3,5-TRLAZINE-2,4.61~3H.5~-~0~
16384 SW 3125 NS 80
520
CAS No.
00077-89-4 00077-93-0 00077-99-6 00078-51-3 00078-72-2 00080-05-7 00084-61 -7 00084-66-2 00084-69-5 00084-74-2 00085-68-7 00088-24-4 00096-69-5 00099-76-3 00 100-4 1-4 00102-08-9 00102-76-1 00103-23- 1 00103-24-2 00105-99-7 00106-03-6 001 08-90-7 00 109-43-3 001 10-30-5 001 12-84-5 001 12-92-5 001 15-86-6 00117-81-7 00119-47-1 00120-40-1 00120-78-5 00121-79-9 00 122-62-3
CONTENTS IN CAS NUMBER ORDER.
PM Ref. Substance - No.
33800
34240
94240 44640 94960 73600 74000 40060 74960 75120 75280 74880 74560 66400 92800 60200 53255 51680 57760 3 1920 36320 32240 36400 67280 85360 53520 52720 68225 73920 74640 66480 39280 46400 55360 85 120
Alkyl (C 10-C 13)benzenesulphonic acid, sodium salt Alkyl (ClO-C2O)sulphonic acid, esters with phenols Triethyl acetylcitrate Citric acid, triethyl ester 1 , 1 , l-Trimethylolpropane Phosphoric acid, tributoxyethyl ester Phosphoric acid, tris(2-ethylhexyl) ester Bisphenol A Phthalic acid, dicyclohexyl ester Phthalic acid, diethyl ester Phthalic acid, diisobutyl ester Phthalic acid, dibutyl ester Phthalic acid, benzyl butyl ester 2,2’-Methylenebis(4-ethy1-6-tert-butylphenol) 4,4’-Thiobis(6-tert-buty1-3-methylphenol) 4-Hydroxybenzoic acid, methyl ester Ethylbenzene N, N’-Diphenylthiourea Glycerol triacetate Adipic acid, bis(2-ethylhexyl) ester Azelaic acid, bis(Zethylhexy1) ester Adipic acid, dibutyl ester Azelaic acid, bis(6-methylheptyl) ester Monochlorobenzene Sebacic acid, dibutyl ester N,N’-Ethylenebisstearamide Erucamide 1 -0ctadecanol Phosphoric acid, triphenyl ester Phthalic acid, bis(2-ethylhexyl) ester 2,2’-Methylenebis(4-methy1-6-tert-butylphenol) N, N -Bis(2-hydroxyethyl)lauramide Dibenzothiazyl disulphide Gallic acid, propyl ester Sebacic acid, bis(Zethylhexy1) ester
Page No.
32
39
495 105 505 308 328 95
361 366 37 1 356 346 254 475 220 170 148 205 22 44 27 49
269 426 175 160 274 323 35 1 259 79
110 190 42 1
52 1
CAS No.
00 123-28-4 00 123-95-5 00124-26-5 00126-71-6 00 126-73-8 00 128-37-0 0013 1- 11-3 001 3 1-56-6 00 13 1-57-7 00 149-57-5 00301-02-0 00577- 1 1-7
0061 1-99-4 00948-65-2 0099 1-84-4
01241-94-7 01 333-2 1-7
01338-39-2 01 338-4 1-6 0 1338-43-8 0 1709-70-2
01843-05-6 02082-79-3
02440-22-4 03896-1 1-5
04066-02-8
06683- 19-8
07128-64-5 08002-74-2
08045-34-9
PM Ref. Substance - No.
93 120 89120 88960 73840 73680 46640 75600 48640 61360 54120 68960 91572
48720 72160 40000
72800 74400
87600 87840 87680 95200
61600 68320
61440 60400
66560
71680
38560 71281
89520
Thiodipropionic acid, didodecyl ester Stearic acid, butyl ester Stearamide Phosphoric acid, triisobutyl ester Phosphoric acid, tributyl ester 2,6-Di-tert-butyl-p-cresol Phthalic acid, dimethyl ester 2,4-Dihydroxybenzophenone 2-Hydroxy-4-methoxybenzophenone 2-Ethylhexanoic acid Oleamide Sulphosuccinic acid, bis(Zethylhexy1) ester, sodium salt 4,4’ -Dihy droxybenzophenone 2-Phenylindole 2,4-Bis(octylmercapto)-6-(4-hydroxy-3,5-di- tert-butylanilino)-1,3,5-triazine Phosphoric acid, diphenyl2-ethylhexyl ester Phosphorous acid, tri(nony1-and/or dinonylphenyl) ester Sorbitan monolaurate Sorbitan monostearate Sorbitan monooleate 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4- hydroxybenzy1)benzene 2-Hydroxy-4-n-octy loxybenzophenone Octadecyl 3-(3,5-di-tert-butyl-4- hydroxyphenyl) propionate 2-(2-Hydroxy-5-methylphenyl)benzotriazole 2-(2-Hydroxy-3-tert-butyl-5-methylphenyl)- 5-chlorobenzotriazole 2,2’-Methylenebis(4-methyl-6-cyclohexyl- phenol) Pentaerytritol tetrakis(3-(3,5-di-tert-butyl-4- hydroxypheny1)propionate) 2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated) Stearic acid, esters with pentaerytritol
Page No.
485 45 1 446 318 313 116 391 126 239 185 284 465
131 298 85
303 340
43 1 44 1 436 510
249 279
244 230
264
294
54 289
456
522
CAS No.
09003- 1 1-6 09016-00-6 15571-58-1 16545-54-3 23 128-74-7
23949-66-8 250 13- 16-5 25496-72-4 26401-86-5 26401-97-8 26523-78-4
26741-53-7
2676 1-40-0 27107-89-7 27176-87-0 27554-26-3 27676-62-6
28533- 12-0 3 1566-3 1-1 3 1570-04-4 32509-66-3
32687-78-8
35074-77-2
36443-68-2
38613-77-3
41484-35-9
58446-52-9 61167-58-6
- No.
79930 76720 50320 93360 59120
53200 40720 56960 67760 50480 74400
38820
75360 67680 52000 75520 95360
75440 57520 74240 53670
38800
59200
94400
92560
92880
90720 31520
Substance Pane No.
Poly(ethy1ene propy1ene)glycol Polydimethylsiloxane Di-n-octyltin bis(2-ethylhexyl mercaptoacetate) Thiodipropionic acid, ditetradecyl ester 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4- hydroxypheny1)propionamide) 2-Ethoxy-2 ’-ethyloxanilide tert-Butyl-4-hydroxy anisole Glycerol monooleate Mono-n-octyltin tris(isoocty1 mercaptoacetate) Di-n-octyltin bis(isoocty1 mercaptoacetate) Phosphorous acid, tri(nony1-and/or dinonylphenyl) ester Bis(2,4-di-tert-butylphenyl)pentaerythritol diphosphite Phthalic acid, diisodecyl ester Mono-n-octyltin tris(Zethylhexy1 mercaptoacetate) Dodecylbenzenesulphonic acid Phthalic acid, diisooctyl ester 1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)- 1,3,5-triazine-2,4,6( 1 H, 3H,5H)-trione Phthalic acid, diisononyl ester Glycerol monostearate Phosphorous acid, tris(2,4-di-tert-butylphenyl) ester Ethyleneglycol bis(3,3-bis(3-tert-butyl-4- hydroxypheny1)butyrate) N, N’-Bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionyl) hydrazide 1,6-Hexamethylene bis(3-(3,5-di-tert-butyl-4- hydroxypheny1)propionate) Triethyleneglycol bis(3-(3-tert-butyl-4- hydroxy-5-methylphenyl) propionate) Tetrakis(2,4-di-tert-butylpheny1)-4,4’- biphenylylene diphosphonite Thiodiethanol bis(3-(3,5-di-tert-butyl-4- hydroxyphenyl) propionate) Stearylbenzo ylmethane Acrylic acid, 2-tert-butyl-6-(3-tert-butyl-2- hydroxy-5-methylbenzyl)-4-methylphenyl ester
406 396 136 490 210
165 100 195 142 142 340
64
376 136 156 386 515
381 200 333 180
59
215
500
470
480
460 17
CAS No.
61348-62-9 61791-28-4 63231-60-7
65 140-91-2
65447-77-0
68037-12-7 70198-29-7
7032 1-86-7
71786-60-2 7 1878- 19-8
79072-96- 1 85566-24- 1 110553-27-0
PM Ref. Substance
523
Page No. - No.
76720 77760 71281
46880
60800
80550 60800
60320
39090 81200
38950 3 1304 40020
Pol ydimethylsiloxane Polyethyleneglycol ether of tallow fatty alcohol Hydrocarbon waxes, paraffin and microcrystalline (hydrogenated) 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic acid, monoethyl ester, calcium salt 1 -(2-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid, dimethyl ester, copolymer Polyolefins 1 -(2-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethyl piperidine-succinic acid, dimethyl ester, copolymer 2-(2-Hydroxy-3,5-bis( 1,l-dimethylbenzy1)phenyl) benzotriazole N,N-Bis(2-hydroxyethyl)alkyl(C8-C 18)amine Poly[6-[( 1,1,3,3-tetramethylbutyl)amin0]-1,3,5- triazine-2,4-diyl] - [ (2,2,6,6-tertramethyl-4- piperidyl)imino]hexamethylene[(2,2,6,6- tertramethyl-4-piperidy1)iminol Bis(4-ethylbenzylidene) sorbitol Acids, fatty (C14-C18), alkyl (C14-C18) ester 2,4-Bis(octylthiomethyl)-6-methylphenol
396 40 1 289
121
235
41 1 235
225
74 416
69 9
90
524
POLYMER ABBREVIATIONS
- CA
- EVA
- PA
- PBT
- PC
- PE
- PET
- PMMA
- PP
- PS
- PSO
- PTFE
- PU
- PVA
- PVC
- PVDC
Cellulose acetate
Ethylene vinyl acetate
Polyamide
Polybutadiene terephthalate
Polycarbonate
Polyethylene
Polyethylene terephthalate
Pol ymethylmethacrylate
Polypropylene
Polystyrene
Pol y sulfone
Pol ytetrafluoroethylene
Polyurethane
Polyvinyl alcohol
Polyvinyl chloride
Polyvinylidene chloride
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