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Details

Stereochemistry ACHIRAL
Molecular Formula C9H16O2
Molecular Weight 156.2221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL CYCLOHEXANECARBOXYLATE

SMILES

CCOC(=O)C1CCCCC1

InChI

InChIKey=JJOYCHKVKWDMEA-UHFFFAOYSA-N
InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H16O2
Molecular Weight 156.2221
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Ethyl cyclohexanecarboxylate is an aroma compound found in wines. It has the odor of liquorices and anise.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Multidimensional chromatographic approach applied to the identification of novel aroma compounds in wine. Identification of ethyl cyclohexanoate, ethyl 2-hydroxy-3-methylbutyrate and ethyl 2-hydroxy-4-methylpentanoate.
2006 Dec 29
Solid phase extraction, multidimensional gas chromatography mass spectrometry determination of four novel aroma powerful ethyl esters. Assessment of their occurrence and importance in wine and other alcoholic beverages.
2007 Jan 26
The chemical characterization of the aroma of dessert and sparkling white wines (Pedro Ximénez, Fino, Sauternes, and Cava) by gas chromatography-olfactometry and chemical quantitative analysis.
2008 Apr 9

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:41:24 GMT 2023
Edited
by admin
on Fri Dec 15 18:41:24 GMT 2023
Record UNII
87937T10YQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL CYCLOHEXANECARBOXYLATE
FHFI  
Systematic Name English
NSC-5298
Code English
ETHYL HEXAHYDROBENZOATE
Systematic Name English
CYCLOHEXANECARBOXYLIC ACID, ETHYL ESTER
Common Name English
ETHOXYCARBONYLCYCLOHEXANE
Systematic Name English
FEMA NO. 3544
Code English
ETHYL CYCLOHEXANECARBOXYLATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ETHYL CYCLOHEXANECARBOXYLATE
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
Code System Code Type Description
CAS
3289-28-9
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
PRIMARY
NSC
5298
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
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JECFA MONOGRAPH
896
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
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CHEBI
88965
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
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PUBCHEM
18686
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
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FDA UNII
87937T10YQ
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID7062958
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
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ECHA (EC/EINECS)
221-945-7
Created by admin on Fri Dec 15 18:41:24 GMT 2023 , Edited by admin on Fri Dec 15 18:41:24 GMT 2023
PRIMARY