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Allyl cyclohexylacetate

Allyl cyclohexylacetate structure

CAS No:
4728-82-9
Formula:
C11H18O2
Chemical Name:
Allyl cyclohexylacetate
Synonyms:
Cyclohexaneacetic acid,2-propen-1-yl ester;Cyclohexaneacetic acid,allyl ester;Cyclohexaneacetic acid,2-propenyl ester;Allyl cyclohexaneacetate;Allyl cyclohexylacetate
Categories:
Cosmetic Ingredient > Perfuming

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.

Allyl cyclohexylacetate Basic Attributes

Molecular Weight：

182.26

Exact Mass：

182.26

EC Number：

225-230-0

UNII：

M6J8835739

DSSTox ID：

DTXSID9063580

Characteristics

PSA：

26.30000

XLogP3：

2.68600

Density：

0.948g/cm3

Boiling Point：

106-107 °C @ Press: 12 Torr

Flash Point：

98.8ºC

Refractive Index：

1.458

Water Solubility：

21.44 mg/L @ 25 °C (est)

Toxicity：

Oral-rat LD50: 900 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 233 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501

Toxicity

Toxicity class：

moderately toxic

Allyl cyclohexylacetate Use and Manufacturing

Methods of Manufacturing

It is formed by the esterification of cyclohexyl acetic acid and allyl alcohol in the presence of benzene.

Uses

GB 2760-1996 stipulates that it is temporarily allowed to use food spices.

Manufacturing Info：

Cyclohexaneacetic acid, 2-propen-1-yl ester: INACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:182.26
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:182.130679813
Monoisotopic Mass:182.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Cyclohexane

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Guide of Allyl cyclohexylacetate

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

Allyl cyclohexylacetate

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