ChemicalBook--->CAS DataBase List--->4728-82-9

4728-82-9

4728-82-9 Structure

4728-82-9 Structure
IdentificationBack Directory
[Name]

ALLYLCYCLOHEXANE ACETATE
[CAS]

4728-82-9
[Synonyms]

ALLYLCYCLOHEXYLACETATE
ALLYLCYCLOHEXANE ACETATE
Cyclohexylacetic acid allyl ester
Cyclohexaneacetic acid, 2-propenyl ester
[EINECS(EC#)]

225-230-0
[Molecular Formula]

C11H18O2
[MDL Number]

MFCD01745652
[MOL File]

4728-82-9.mol
[Molecular Weight]

182.26
Chemical PropertiesBack Directory
[Boiling point ]

275.67°C (rough estimate)
[density ]

0.9813 (rough estimate)
[FEMA ]

2023 | ALLYL CYCLOHEXANEACETATE
[refractive index ]

1.4614 (estimate)
[color ]

A colourless liquid.
[Odor]

at 100.00 %. sweet ripe fruity pineapple green peach apricot
[Odor Type]

fruity
[JECFA Number]

12
[LogP]

3.59
[EPA Substance Registry System]

Cyclohexaneacetic acid, 2-propenyl ester (4728-82-9)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Allyl alcohol-->Cyclohexylacetic acid
Questions And AnswerBack Directory
[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.
Hazard InformationBack Directory
[Chemical Properties]

A liquid with an intense, sweet, long-lasting fruital (pineapple, peach, apricot) aroma. It is used as a flavor enhancer, flavoring agent and adjuvant.
[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).
Safety DataBack Directory
[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).
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