HEXYL 2-HEXENOATE, (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 HEXYL 2-HEXENOATE, (2E)-

Structure Search

SMILES

CCCCCCOC(=O)\C=C\CCC

InChI

InChIKey=NGQTTWDHJIMWOI-CSKARUKUSA-N

InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h8,10H,3-7,9,11H2,1-2H3/b10-8+

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 19:29:53 GMT 2025` Edited by `admin` on `Mon Mar 31 19:29:53 GMT 2025`
Record UNII	8H4V153HBP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXYL TRANS-2-HEXENOATE

Preferred Name

English

HEXYL 2-HEXENOATE, (2E)-

Systematic Name

English

HEXYL-2-HEXENOATE,(E)-

Common Name

English

(E)-2- HEXENOIC ACID HEXYL ESTER

Systematic Name

English

HEXYL (E)-2-HEXENOATE

Systematic Name

English

HEXYL TRANS-2-HEXENOATE [FHFI]

Common Name

English

FEMA NO. 3692

Code

English

Code System Code Type Description

JECFA MONOGRAPH

1788

Created by admin on Mon Mar 31 19:29:53 GMT 2025 , Edited by admin on Mon Mar 31 19:29:53 GMT 2025

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CAS

33855-57-1

Created by admin on Mon Mar 31 19:29:53 GMT 2025 , Edited by admin on Mon Mar 31 19:29:53 GMT 2025

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EPA CompTox

DTXSID301019766

Created by admin on Mon Mar 31 19:29:53 GMT 2025 , Edited by admin on Mon Mar 31 19:29:53 GMT 2025

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FDA UNII

8H4V153HBP

Created by admin on Mon Mar 31 19:29:53 GMT 2025 , Edited by admin on Mon Mar 31 19:29:53 GMT 2025

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PUBCHEM

6435861

Created by admin on Mon Mar 31 19:29:53 GMT 2025 , Edited by admin on Mon Mar 31 19:29:53 GMT 2025

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