2-HEXENYL PENTANOATE, (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 PENTANOATE, (2E)-

Structure Search

SMILES

CCCCC(=O)OC\C=C\CCC

InChI

InChIKey=WDXAMNXWZLXISB-BQYQJAHWSA-N

InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+

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 19:29:16 GMT 2025` Edited by `admin` on `Mon Mar 31 19:29:16 GMT 2025`
Record UNII	NQO2JJ740G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 3935

Preferred Name

English

2-HEXENYL PENTANOATE, (2E)-

Systematic Name

English

PENTANOIC ACID, (2E)-2-HEXEN-1-YL ESTER

Common Name

English

PENTANOIC ACID, 2-HEXENYL ESTER, (E)-

Common Name

English

(E)-2-HEXENYL VALERATE [FHFI]

Common Name

English

TRANS-2-HEXENYL PENTANOATE

Systematic Name

English

TRANS-2-HEXENYL VALERATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

TRANS-2-HEXENYL PENTANOATE

Created by admin on Mon Mar 31 19:29:16 GMT 2025 , Edited by admin on Mon Mar 31 19:29:16 GMT 2025

Code System Code Type Description

JECFA MONOGRAPH

1378

Created by admin on Mon Mar 31 19:29:16 GMT 2025 , Edited by admin on Mon Mar 31 19:29:16 GMT 2025

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PUBCHEM

5352974

Created by admin on Mon Mar 31 19:29:16 GMT 2025 , Edited by admin on Mon Mar 31 19:29:16 GMT 2025

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ECHA (EC/EINECS)

260-439-0

Created by admin on Mon Mar 31 19:29:16 GMT 2025 , Edited by admin on Mon Mar 31 19:29:16 GMT 2025

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CAS

56922-74-8

Created by admin on Mon Mar 31 19:29:16 GMT 2025 , Edited by admin on Mon Mar 31 19:29:16 GMT 2025

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FDA UNII

NQO2JJ740G

Created by admin on Mon Mar 31 19:29:16 GMT 2025 , Edited by admin on Mon Mar 31 19:29:16 GMT 2025

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EPA CompTox

DTXSID40886209

Created by admin on Mon Mar 31 19:29:16 GMT 2025 , Edited by admin on Mon Mar 31 19:29:16 GMT 2025

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