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Ethyl cyclohexanecarboxylate

Ethyl cyclohexanecarboxylate structure

CAS No:
3289-28-9
Formula:
C9H16O2
Chemical Name:
Ethyl cyclohexanecarboxylate
Synonyms:
Cyclohexanecarboxylic acid,ethyl ester;Ethyl cyclohexanecarboxylate;Ethyl cyclohexylcarboxylate;Ethoxycarbonylcyclohexane;Ethyl cyclohexanoate;NSC 5298

Description

Ethyl cyclohexanecarboxylate has a cheese-like odor

Liquid; cheese-like odour

Ethyl cyclohexanecarboxylate is an ethyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with ethanol. It has a role as a flavouring agent, a plant metabolite and a human metabolite. It is an ethyl ester and a volatile organic compound. It derives from a cyclohexanecarboxylic acid.

Ethyl cyclohexanecarboxylate Basic Attributes

Molecular Weight：

156.22

Exact Mass：

156.22

BRN：

2042698

EC Number：

221-945-7

UNII：

87937T10YQ

NSC Number：

5298

DSSTox ID：

DTXSID7062958

HScode：

2916209090

Characteristics

PSA：

26.3

XLogP3：

2.77

Appearance：

Liquid; cheese-like odour

Density：

0.962 g/cm³ @ Temp: 20 °C

Melting Point：

120 °C

Boiling Point：

196 °C

Flash Point：

194-196°C

Refractive Index：

1.451

Water Solubility：

Insoluble in water.

Safety Information

safety instructions：

23-24/25

RTECS Number：

GU8490000

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

ethyl cyclohexanoate

Ethyl cyclohexanecarboxylate Use and Manufacturing

Uses

Flavoring Agents -> JECFA Flavorings Index

Manufacturing Info：

Cyclohexanecarboxylic acid, ethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:156.22
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:156.115029749
Monoisotopic Mass:156.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl cyclohexanecarboxylate

CAS No.: 3289-28-9

Content: 99.00%

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Guide of Ethyl cyclohexanecarboxylate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Ethyl cyclohexanecarboxylate

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