2-HEXENYL HEXANOATE, (2E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H22O2
Molecular Weight	198.3019
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-HEXENYL HEXANOATE, (2E)-

Structure Search

SMILES

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

InChI

InChIKey=UQPLEMTXCSYMEK-VQHVLOKHSA-N

InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+

HIDE SMILES / InChI

Molecular Formula	C12H22O2
Molecular Weight	198.3019
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 19:25:12 GMT 2025` Edited by `admin` on `Mon Mar 31 19:25:12 GMT 2025`
Record UNII	CF5RIO6PQE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HEXENYL HEXANOATE, (2E)-

Systematic Name

English

(E)-2-HEXENYL HEXANOATE

Preferred Name

English

FEMA NO. 3983

Code

English

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

Common Name

English

TRANS-2-HEXENYL HEXANOATE

Systematic Name

English

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

Common Name

English

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

Common Name

English

(E)-2-HEXENYL HEXANOATE [FHFI]

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

(E)-2-HEXENYL HEXANOATE

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

Code System Code Type Description

EPA CompTox

DTXSID50886053

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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PUBCHEM

5352973

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

PRIMARY

ECHA (EC/EINECS)

258-519-5

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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FDA UNII

CF5RIO6PQE

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

PRIMARY

JECFA MONOGRAPH

1380

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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CAS

53398-86-0

Created by admin on Mon Mar 31 19:25:12 GMT 2025 , Edited by admin on Mon Mar 31 19:25:12 GMT 2025

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