2-HEXENYL ISOVALERATE (2E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H20O2
Molecular Weight	184.2753
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-HEXENYL ISOVALERATE (2E)-

Structure Search

SMILES

CCC\C=C\COC(=O)CC(C)C

InChI

InChIKey=SAVRWHQEMHIAEB-VOTSOKGWSA-N

InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+

HIDE SMILES / InChI

Molecular Formula	C11H20O2
Molecular Weight	184.2753
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:08:36 GMT 2025` Edited by `admin` on `Mon Mar 31 19:08:36 GMT 2025`
Record UNII	8J63B79Z9Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-HEXENYL ISOVALERATE (2E)-

Common Name

English

FEMA NO. 3930

Preferred Name

English

(E)-HEX-2-ENYL 3-METHYLBUTANOATE

Systematic Name

English

TRANS-2-HEXENYL ISOVALERATE

Systematic Name

English

BUTANOIC ACID, 3-METHYL-, (2E)-2-HEXEN-1-YL ESTER

Common Name

English

BUTANOIC ACID, 3-METHYL-, (2E)-2-HEXENYL ESTER

Common Name

English

(E)-2-HEXENYL ISOVALERATE [FHFI]

Common Name

English

BUTANOIC ACID, 3-METHYL-, 2-HEXENYL ESTER, (E)-

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

TRANS-2-HEXENYL ISOVALERATE

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

Code System Code Type Description

JECFA MONOGRAPH

1376

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

PRIMARY

ECHA (EC/EINECS)

272-088-0

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

PRIMARY

EPA CompTox

DTXSID70887486

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

PRIMARY

CAS

68698-59-9

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

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CHEBI

172052

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

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PUBCHEM

5352460

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

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CAS

136520-10-0

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

8J63B79Z9Z

Created by admin on Mon Mar 31 19:08:36 GMT 2025 , Edited by admin on Mon Mar 31 19:08:36 GMT 2025

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