ALLYLCYCLOHEXANE ACETATE

ALLYLCYCLOHEXANE ACETATE Basic information
Identification Description Regulatory Status Usage Natural occurrence
Product Name:ALLYLCYCLOHEXANE ACETATE
Synonyms:Cyclohexaneacetic acid, 2-propenyl ester;ALLYLCYCLOHEXYLACETATE;ALLYLCYCLOHEXANE ACETATE;Cyclohexylacetic acid allyl ester;ALLYLCYCLOHEXANE ACETATE USP/EP/BP;Cyclohexaneacetic acid, 2-propen-1-yl ester
CAS:4728-82-9
MF:C11H18O2
MW:182.26
EINECS:225-230-0
Product Categories:
Mol File:4728-82-9.mol
ALLYLCYCLOHEXANE ACETATE Structure
ALLYLCYCLOHEXANE ACETATE Chemical Properties
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.
Odorat 100.00 %. sweet ripe fruity pineapple green peach apricot
Odor Typefruity
JECFA Number12
LogP3.59
EPA Substance Registry SystemCyclohexaneacetic acid, 2-propenyl ester (4728-82-9)
Safety Information
toxicityThe 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).
MSDS Information
ALLYLCYCLOHEXANE ACETATE Usage And Synthesis
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
 
 
DescriptionA liquid with an intense, sweet, long-lasting fruital (pineapple, peach, apricot) aroma. It is used as a flavor enhancer, flavoring agent and adjuvant.
Regulatory StatusCoE: 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).


UsageReported 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 occurrenceNot reported found in nature.
Chemical PropertiesA liquid with an intense, sweet, long-lasting fruital (pineapple, peach, apricot) aroma. It is used as a flavor enhancer, flavoring agent and adjuvant.
OccurrenceHas apparently not been reported to occur in nature.
PreparationBy esterfication of cyclohexane, acetic acid and allyl alcohol in the presence of benzene
Taste threshold valuesTaste characteristics at 15 ppm: pineapple with a sweet, ripe, fruity nuance.
MetabolismThe 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).
ALLYLCYCLOHEXANE ACETATE Preparation Products And Raw materials
Raw materialsAllyl alcohol-->Cyclohexylacetic acid
Acrylic acid Allyl acetate ALLYLCYCLOHEXANE Columbin Cyclohexylacetic acid ALLYLCYCLOHEXANE ACETATE ISOCOLUMBIN

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