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-OCTENYL PROPIONATE, (3Z)-

SMILES

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

InChI

InChIKey=NTQOADMSKSBQCI-FPLPWBNLSA-N
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-

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 18:50:58 GMT 2023
Edited
by admin
on Fri Dec 15 18:50:58 GMT 2023
Record UNII
Q07645JX3V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-OCTENYL PROPIONATE, (3Z)-
Systematic Name English
FEMA NO. 4189
Code English
3-OCTEN-1-OL, 1-PROPANOATE, (3Z)-
Systematic Name English
CIS-3- OCTENYL PROPIONATE [FHFI]
Common Name English
3-OCTEN-1-OL, PROPANOATE, (3Z)-
Systematic Name English
Code System Code Type Description
JECFA MONOGRAPH
1617
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY
CAS
94134-03-9
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY
PUBCHEM
20836326
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY
FDA UNII
Q07645JX3V
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
302-769-0
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID10888735
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY