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ALLYLCYCLOHEXANE ACETATE

Identification Description Regulatory Status Usage Natural occurrence

CAS No.4728-82-9
Chemical Name:ALLYLCYCLOHEXANE ACETATE
CBNumber:CB7477580
Molecular Formula:C11H18O2
Formula Weight:182.26
MOL File:4728-82-9.mol

ALLYLCYCLOHEXANE ACETATE Property

Boiling point 275.67°C (rough estimate)
Density 0.9813 (rough estimate)
refractive index 1.4614 (estimate)
FEMA 2023 | ALLYL CYCLOHEXANEACETATE
color A colourless liquid.
Odor at 100.00 %. sweet ripe fruity pineapple green peach apricot
Odor Type fruity
JECFA Number 12
LogP 3.59
Substances Added to Food (formerly EAFUS) ALLYL CYCLOHEXANEACETATE
FDA 21 CFR 172.515
FDA UNII M6J8835739
EPA Substance Registry System Cyclohexaneacetic acid, 2-propenyl ester (4728-82-9)

Safety

Toxicity :The acute oral LD₅₀ value in rats was reported as 0.90 g/kg (0.56-1.24 g/kg) (Moreno, 1974) and the acute dermal LD₅₀ value in rabbits as 1.25 g/kg (0.35-2.15 g/kg) (Moreno, 1974).

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H312-H302-H319
Precautionary statements P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

ALLYLCYCLOHEXANE ACETATE Chemical Properties,Usage,Production

Identification

CAS.No.:

4728-82-9

FL.No.:

9.482

FEMA.No.:

2023

NAS.No.:

2023

CoE.No.:

2070

EINECS.No.:

225-230-0

JECFA.No.:

12

　

　
Description A liquid with an intense, sweet, long-lasting fruital (pineapple, peach, apricot) aroma. It is used as a flavor enhancer, flavoring agent and adjuvant.
Regulatory Status CoE: n/a
FDA: 21 CFR 172.515
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (1996).
Usage Reported uses (ppm): (FEMA, 1994)

Food Category

Usual

Max.

Alcoholic beverages

1

2

Baked goods

41.77

57.58

Frozen dairy

7.64

16.14

Gelatins, puddings

11.42

17.17

Nonalcoholic beverages

4.69

7.59

Soft candy

30.69

37.27
Natural occurrence Not reported found in nature.
Chemical Properties Colorless liquid, almost insoluble in water, miscible with alcohol, essential oils and flavor chemicals, perfume materials, etc. Pronounced “mixed-fruity“ odor, sweet, lasting and less ethereal than the lower aliphatic acetates. The flavor is overall fruity (“tutti-frutti”) with some resemblance to Pineapple, Peach and Apricot.
Occurrence Has apparently not been reported to occur in nature.
Preparation By esterfication of cyclohexane, acetic acid and allyl alcohol in the presence of benzene
Taste threshold values Taste characteristics at 15 ppm: pineapple with a sweet, ripe, fruity nuance.
Metabolism The hydrolysis of ester linkages in foreign compounds may be catalysed by many different esterases; most of these have a low degree of substrate specificity and they are to be found in all animals and bacteria (Parke, 1968). In the rat, allyl acetate and allyl alcohol are metabolized to 3-hydroxypropylmercapturic acid, which is excreted in the urine (Clapp, Kaye & Young, 1969). In dogs, cyclohexylacetic acid was not aromatized and was probably completely oxidized in the body by β-oxidation (Bernhard, 1937; Williams, 1959).