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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10O2
Molecular Weight 114.1424
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-PENTENOATE

SMILES

COC(=O)CCC=C

InChI

InChIKey=SHCSFZHSNSGTOP-UHFFFAOYSA-N
InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3

HIDE SMILES / InChI

Molecular Formula C6H10O2
Molecular Weight 114.1424
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:21:04 GMT 2023
Edited
by admin
on Fri Dec 15 21:21:04 GMT 2023
Record UNII
G48IPZ8O71
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-PENTENOATE
FHFI  
Systematic Name English
4-PENTENOIC ACID, METHYL ESTER
Common Name English
ALLYLACETIC ACID METHYL ESTER
Systematic Name English
FEMA NO. 4353
Code English
METHYL 4-PENTENOATE [FHFI]
Common Name English
METHYL ALLYLACETATE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL 4-PENTENOATE
Created by admin on Fri Dec 15 21:21:04 GMT 2023 , Edited by admin on Fri Dec 15 21:21:04 GMT 2023
Code System Code Type Description
CAS
818-57-5
Created by admin on Fri Dec 15 21:21:04 GMT 2023 , Edited by admin on Fri Dec 15 21:21:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID60231373
Created by admin on Fri Dec 15 21:21:04 GMT 2023 , Edited by admin on Fri Dec 15 21:21:04 GMT 2023
PRIMARY
PUBCHEM
543664
Created by admin on Fri Dec 15 21:21:04 GMT 2023 , Edited by admin on Fri Dec 15 21:21:04 GMT 2023
PRIMARY
JECFA MONOGRAPH
1605
Created by admin on Fri Dec 15 21:21:04 GMT 2023 , Edited by admin on Fri Dec 15 21:21:04 GMT 2023
PRIMARY
FDA UNII
G48IPZ8O71
Created by admin on Fri Dec 15 21:21:04 GMT 2023 , Edited by admin on Fri Dec 15 21:21:04 GMT 2023
PRIMARY