HEPT-2-ENYL ISOVALERATE, (2E)-

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

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 HEPT-2-ENYL ISOVALERATE, (2E)-

Structure Search

SMILES

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

InChI

InChIKey=ACRNCNWXWBBKGP-BQYQJAHWSA-N

InChI=1S/C12H22O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+

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 `Wed Apr 02 13:45:05 GMT 2025` Edited by `admin` on `Wed Apr 02 13:45:05 GMT 2025`
Record UNII	8QNC1819P5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HEPT-2-ENYL ISOVALERATE, (2E)-

Systematic Name

English

(E,Z)-HEPT-2-EN-1-YL ISOVALERATE

Preferred Name

English

(E)-HEPT-2-ENYL ISOVALERATE

Systematic Name

English

FEMA NO. 4126

Common Name

English

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

Common Name

English

BUTANOIC ACID, 3-METHYL-, (E2)-HEPTENYL ESTER

Common Name

English

HEPT-2-EN-1-YL ISOVALERATE [FHFI]

Common Name

English

Code System Code Type Description

CAS

94109-97-4

Created by admin on Wed Apr 02 13:45:05 GMT 2025 , Edited by admin on Wed Apr 02 13:45:05 GMT 2025

PRIMARY

JECFA MONOGRAPH

1777

Created by admin on Wed Apr 02 13:45:05 GMT 2025 , Edited by admin on Wed Apr 02 13:45:05 GMT 2025

PRIMARY

ECHA (EC/EINECS)

302-537-9

Created by admin on Wed Apr 02 13:45:05 GMT 2025 , Edited by admin on Wed Apr 02 13:45:05 GMT 2025

PRIMARY

FDA UNII

8QNC1819P5

Created by admin on Wed Apr 02 13:45:05 GMT 2025 , Edited by admin on Wed Apr 02 13:45:05 GMT 2025

PRIMARY

EPA CompTox

DTXSID501238164

Created by admin on Wed Apr 02 13:45:05 GMT 2025 , Edited by admin on Wed Apr 02 13:45:05 GMT 2025

PRIMARY

PUBCHEM

6366434

Created by admin on Wed Apr 02 13:45:05 GMT 2025 , Edited by admin on Wed Apr 02 13:45:05 GMT 2025

PRIMARY