U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow 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 3-HEXENYL ISOVALERATE, (3Z)-

SMILES

CC\C=C/CCOC(=O)CC(C)C

InChI

InChIKey=AIQLNKITFBJPFO-WAYWQWQTSA-N
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-

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 Fri Dec 15 18:53:00 GMT 2023
Edited
by admin
on Fri Dec 15 18:53:00 GMT 2023
Record UNII
L9KN8775G8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXENYL ISOVALERATE, (3Z)-
Systematic Name English
CIS-3-HEXENYL ISOPENTANOATE
Systematic Name English
HEX-2-ENYL ISOVALERATE
Systematic Name English
(Z)-3-HEXENYL 3-METHYLBUTYRATE
Systematic Name English
(Z)-3-HEXENYL ISOVALERATE
FCC  
Systematic Name English
CIS-3-HEXENYL ISOVALERATE [FHFI]
Common Name English
(Z)-3-HEXENYL ISOVALERATE [FCC]
Common Name English
FEMA NO. 3498
Code English
(Z)-3-HEXEN-1-YL ISOVALERATE
Systematic Name English
CIS-3-HEXENYL-3-METHYLBUTYRATE
Systematic Name English
3-HEXENYL ISOVALERATE, CIS-
Systematic Name English
3-HEXENYL 3-METHYLBUTANOATE, (3Z)-
Systematic Name English
BUTANOIC ACID, 3-METHYL-, 3-HEXENYL ESTER, (Z)-
Common Name English
(Z)-HEX-3-ENYL 3-METHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, 3-METHYL-, (3Z)-3-HEXEN-1-YL ESTER
Common Name English
Code System Code Type Description
JECFA MONOGRAPH
193
Created by admin on Fri Dec 15 18:53:00 GMT 2023 , Edited by admin on Fri Dec 15 18:53:00 GMT 2023
PRIMARY
PUBCHEM
5367681
Created by admin on Fri Dec 15 18:53:00 GMT 2023 , Edited by admin on Fri Dec 15 18:53:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
233-104-1
Created by admin on Fri Dec 15 18:53:00 GMT 2023 , Edited by admin on Fri Dec 15 18:53:00 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
35154-45-1
Created by admin on Fri Dec 15 18:53:00 GMT 2023 , Edited by admin on Fri Dec 15 18:53:00 GMT 2023
PRIMARY
CAS
10032-11-8
Created by admin on Fri Dec 15 18:53:00 GMT 2023 , Edited by admin on Fri Dec 15 18:53:00 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
252-404-3
Created by admin on Fri Dec 15 18:53:00 GMT 2023 , Edited by admin on Fri Dec 15 18:53:00 GMT 2023
PRIMARY
FDA UNII
L9KN8775G8
Created by admin on Fri Dec 15 18:53:00 GMT 2023 , Edited by admin on Fri Dec 15 18:53:00 GMT 2023
PRIMARY
CHEBI
176332
Created by admin on Fri Dec 15 18:53:00 GMT 2023 , Edited by admin on Fri Dec 15 18:53:00 GMT 2023
PRIMARY