ChemicalBook--->CAS DataBase List--->7493-68-7

7493-68-7

7493-68-7 Structure

7493-68-7 Structure
IdentificationBack Directory
[Name]

Cyclohexanepentanoic acid, 2-propenyl ester
[CAS]

7493-68-7
[Synonyms]

ALLYLCYCLOHEXYLVALERATE
Cyclohexanepentanoic acid, 2-propenyl ester
[Molecular Formula]

C14H24O2
[MDL Number]

MFCD23160755
[MOL File]

7493-68-7.mol
[Molecular Weight]

224.34
Chemical PropertiesBack Directory
[Boiling point ]

300.6±11.0 °C(Predicted)
[density ]

0.928±0.06 g/cm3(Predicted)
[FEMA ]

2027 | ALLYL CYCLOHEXANEVALERATE
[storage temp. ]

2-8°C
[Odor]

at 100.00 %. fruity pineapple peach apricot apple
[Odor Type]

fruity
[JECFA Number]

15
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C14H24O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2,13H,1,3-12H2
[InChIKey]

NDXGAVFJHHVIQN-UHFFFAOYSA-N
[SMILES]

O(CC=C)C(=O)CCCCC1CCCCC1
[LogP]

5.18
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2915600000
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Allyl alcohol-->Valeric acid
Questions And AnswerBack Directory
[Identification]

CAS.No.: 
7493-68-7 
FL.No.: 
9.469
FEMA.No.: 
2027
NAS.No.: 
2027
CoE.No.: 
474
EINECS.No.: 
n/a 
JECFA.No.: 
15
 
 
[Description]

Allyl cyclohexanevalerate has a characteristic fruital (peach, apricot, apple) aroma and is used as a flavoring agent or 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 
2
4
Baked goods 
11.25
17.17
Frozen dairy 
3.42
6.92
Gelatins, puddings 
4.93
8.32
Nonalcoholic beverages 
1.53
2.63
Soft candy 
7.71
11.64
[Natural occurrence]

Not reported found in nature.
Hazard InformationBack Directory
[Chemical Properties]

Allyl cyclohexanevalerate has a characteristic fruital (peach, apricot, apple) aroma and is used as a flavoring agent or adjuvant.
[Uses]

Allyl cyclohexane valerate USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia.
[Definition]

ChEBI: 2-Propenyl cyclohexanepentanoate is a fatty acid ester.
[Preparation]

By direct esterification in the presence of benzene.
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