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 3-HEXENYL HEXANOATE, (3Z)-

SMILES

CCCCCC(=O)OCC\C=C/CC

InChI

InChIKey=RGACQXBDYBCJCY-ALCCZGGFSA-N
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-

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 Fri Dec 15 18:03:43 UTC 2023
Edited
by admin
on Fri Dec 15 18:03:43 UTC 2023
Record UNII
UYX8RFU917
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXENYL HEXANOATE, (3Z)-
Systematic Name English
FEMA NO. 3403
Code English
CIS-3-HEXEN-1-YL CAPROATE
Systematic Name English
CIS-3-HEXENYL HEXANOATE
FHFI  
Systematic Name English
3-HEXEN-1-YL HEXANOATE, (Z)-
Systematic Name English
HEXANOIC ACID, 3-HEXENYL ESTER, (Z)-
Common Name English
(Z)-3-HEXENYL HEXANOATE
Systematic Name English
CIS-3-HEXENYL HEXANOATE [FHFI]
Common Name English
CIS-3-HEXENYL CAPROATE
Systematic Name English
CIS-HEX-3-EN-1-YL HEXANOATE
Systematic Name English
3-HEXENYL HEXANOATE, CIS-
Systematic Name English
HEXANOIC ACID, (3Z)-3-HEXEN-1-YL ESTER
Common Name English
(3Z)-HEX-3-EN-1-YL HEXANOATE
Systematic Name English
(Z)-3-HEXEN-1-YL HEXANOATE
Systematic Name English
HEXANOIC ACID, (3Z)-3-HEXENYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION CIS-3-HEXENYL HEXANOATE
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
Code System Code Type Description
RXCUI
2000995
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY
DAILYMED
UYX8RFU917
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY
JECFA MONOGRAPH
19
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY
CAS
31501-11-8
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY
SMS_ID
300000016560
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID7047560
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY
PUBCHEM
5352543
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY
FDA UNII
UYX8RFU917
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY
ECHA (EC/EINECS)
250-661-6
Created by admin on Fri Dec 15 18:03:43 UTC 2023 , Edited by admin on Fri Dec 15 18:03:43 UTC 2023
PRIMARY