Fragrance raw materials monographs 351

HEXYL FORMATE

Synonym: n-Hexyl formate. CAS Registry No. 629-33-4 CAS Index Name: formic acid, hexyl ester

Structure : CH 3" [CH2] 5"O" CHO Description: A colourless liquid. Occurrence: Reported to occur in foods (CIVO--TNO, 1986). Preparation: By direct esterification of n-hexanol with formic acid (Arctander, 1969). Physical properties:

Refractive index 1.404-1.408 Specific gravity 0.879-0.885

(Analytical data on the material as tested by RIFM.) Gas chromatogram and infra-red curve on file at RIFM.

Status

Hexyl formate was given GRAS status (No. 2570) by FEMA (1965) and is approved by the FDA for food use (21 CFR 172.515). The Council of Europe (1981) included it in the list of substances that may be added to food without hazard to public health.

Biological data

Acute toxicity. The acute oral LDs0 in rats exceeded 5 g/kg based on 0/10 deaths at that dose and the acute dermal LDs0 in rabbits exceeded 5 g/kg based on 0/10 deaths (Moreno et al. 1981).

Irritation. As part of an acute dermal LDs0 study, the undiluted material produced irritant effects with skin abnormalities at necropsy in rabbits patch-tested for 24 hr under occlusion at a dose of 5 g/kg (Moreno et al. 1981).

A 48-hr closed-patch test at a concentration of 4% in petrolatum on the backs of 25 volunteers produced no irritation (Epstein, 1981).

Sensitization. A maximization test (Kligman, 1966; Kligman & Epstein, 1975) was carried out on 25 volunteers. The material was tested at a concentration of 4% in petrolatum and produced no sensitization reactions (Epstein, 1981). This test concentration was based on a reported maximum concentration of 0.4% in consumer products.

References

Arctander, S. (1969). Perfume and Flavor Chemicals (Aroma Chemicals). Vol. 1, no. 1663. S. Arctander, Montclair, NJ. CIVO-TNO (1986). Volatile Compounds in Food. 5th Ed. Suppl. 3. Edited by H. Maarse & C. A. Visscher. Centraal Instituut

Voor Voedingsonderzoek TNO, Zeist, The Netherlands. Council of Europe (I 981). Flavouring Substances and Natural Sources of Flavourings. Partial Agreement in the Social and

Public Health Field. List 1, no. 499, p. 202. Editeur Maisonneuve S.A. Strasbourg. Epstein, W. L. (1981). Report to RIFM, 10 July. Flavoring Extract Manufacturers' Association (1965). Recent progress in the consideration of flavoring ingredients under

the food additives amendment. 3. GRAS Substances. Fd Teehnol., Champaign 19 (2), 155. Kligman, A. M. (1966). The identification of contact allergens by human assay. III. The maximization test. A procedure

for screening and rating contact sensitizers. J. invest. Derm. 47, 393. Kligman, A. M. & Epstein, W. (1975). Updating the maximization test for identifying contact allergens. Contact Dermatitis

1, 231. Moreno, O. M., Cerven, D. R. & Altenbaeh, E. J. (1981). Report to RIFM, 31 August.