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Allyl cyclohexanevalerate

Allyl cyclohexanevalerate structure

CAS No:
7493-68-7
Formula:
C14H24O2
Chemical Name:
Allyl cyclohexanevalerate
Synonyms:
Cyclohexanepentanoic acid,2-propen-1-yl ester;Cyclohexanevaleric acid,allyl ester;Cyclohexanepentanoic acid,2-propenyl ester;Allyl cyclohexanevalerate
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

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

Colourless liquid with a pineapple/mixed fruity odour

2-Propenyl cyclohexanepentanoate is a fatty acid ester.

Allyl cyclohexanevalerate Basic Attributes

Molecular Weight：

224.344

Exact Mass：

224.34

EC Number：

616-172-0

UNII：

BWA3BL8KX5

DSSTox ID：

DTXSID50225908

HScode：

2915600000

Characteristics

PSA：

26.30000

XLogP3：

3.85630

Appearance：

Colourless liquid with a pineapple/mixed fruity odour

Density：

0.928g/cm3

Boiling Point：

300.6ºC at 760 mmHg

Flash Point：

127.4ºC

Refractive Index：

1.46

Water Solubility：

Insoluble in water, soluble in ethanol, essential oils and flavour materials, and poorly soluble in propylene glycol

Safety Information

Transport codes：

NONH for all modes of transport

Allyl cyclohexanevalerate Use and Manufacturing

Methods of Manufacturing

It is synthesized by direct esterification of allyl alcohol and cyclohexylvaleric acid in benzene.

Uses

Spices for food.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:224.34
XLogP3:4.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:224.177630004
Monoisotopic Mass:224.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Allyl cyclohexanevalerate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Allyl cyclohexanevalerate

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