U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXENYL BUTYRATE, (3Z)-

SMILES

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

InChI

InChIKey=ZCHOPXVYTWUHDS-WAYWQWQTSA-N
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
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 18:59:35 GMT 2023
Edited
by admin
on Fri Dec 15 18:59:35 GMT 2023
Record UNII
O47B839622
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXENYL BUTYRATE, (3Z)-
Systematic Name English
BUTYRIC ACID, 3-HEXENYL ESTER, (Z)-
Common Name English
(Z)-HEX-3-ENYL BUTYRATE
Systematic Name English
CIS-3-HEXENYL BUTYRATE
FHFI  
Systematic Name English
FEMA NO. 3402
Code English
3-HEXENYL BUTANOATE, (Z)-
Systematic Name English
(Z)-3-HEXENYL BUTYRATE [FCC]
Common Name English
CIS-HEX-3-EN-1-YL BUTYRATE
Systematic Name English
CIS-BUTYRIC ACID, 3-HEXENYL ESTER
Common Name English
CIS-3-HEXEN-1-YL BUTYRATE
Systematic Name English
3-HEXENYL BUTYRATE, (Z)-
Systematic Name English
3-HEXEN-1-YL BUTYRATE, (Z)-
Systematic Name English
3-HEXENYL BUTYRATE, CIS-
Systematic Name English
3-HEXENYL BUTANOATE, CIS-
Systematic Name English
(Z)-3-HEXEN-1-OL BUTANOATE
Systematic Name English
BUTANOIC ACID, (3Z)-3-HEXEN-1-YL ESTER
Common Name English
(Z)-3-HEXENYL BUTYRATE
FCC  
Systematic Name English
BUTANOIC ACID, 3-HEXENYL ESTER, (Z)-
Common Name English
CIS-3-HEXENYL BUTYRATE [FHFI]
Common Name English
BUTANOIC ACID, (3Z)-3-HEXENYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION CIS-3-HEXENYL BUTYRATE
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
Code System Code Type Description
RXCUI
2000996
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
PUBCHEM
5352438
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
FDA UNII
O47B839622
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
EVMPD
SUB177836
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-553-7
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
JECFA MONOGRAPH
226
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
SMS_ID
100000163529
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
CAS
16491-36-4
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID6051772
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY
DAILYMED
O47B839622
Created by admin on Fri Dec 15 18:59:35 GMT 2023 , Edited by admin on Fri Dec 15 18:59:35 GMT 2023
PRIMARY