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Details

Stereochemistry RACEMIC
Molecular Formula C8H12O2
Molecular Weight 140.1797
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 2-METHYL-3,4-PENTADIENOATE

SMILES

CCOC(=O)C(C)C=C=C

InChI

InChIKey=DDZLNKMWFGDTAX-UHFFFAOYSA-N
InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3

HIDE SMILES / InChI

Molecular Formula C8H12O2
Molecular Weight 140.1797
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:09 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:09 GMT 2023
Record UNII
ZBL6PWV9J9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 2-METHYL-3,4-PENTADIENOATE
FHFI  
Systematic Name English
2-METHYL-3,4-PENTADIENOIC ACID, ETHYL ESTER
Common Name English
ETHYL 2-METHYL-3,4-PENTADIENOATE [FHFI]
Common Name English
(±)-ETHYL 2-METHYL-3,4-PENTADIENOATE
Systematic Name English
FEMA NO. 3678
Code English
3,4-PENTADIENOIC ACID, 2-METHYL-, ETHYL ESTER
Common Name English
BERRY PENTADIENOATE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
262-278-1
Created by admin on Fri Dec 15 18:32:09 GMT 2023 , Edited by admin on Fri Dec 15 18:32:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID30866813
Created by admin on Fri Dec 15 18:32:09 GMT 2023 , Edited by admin on Fri Dec 15 18:32:09 GMT 2023
PRIMARY
FDA UNII
ZBL6PWV9J9
Created by admin on Fri Dec 15 18:32:09 GMT 2023 , Edited by admin on Fri Dec 15 18:32:09 GMT 2023
PRIMARY
CAS
60523-21-9
Created by admin on Fri Dec 15 18:32:09 GMT 2023 , Edited by admin on Fri Dec 15 18:32:09 GMT 2023
PRIMARY
PUBCHEM
62166
Created by admin on Fri Dec 15 18:32:09 GMT 2023 , Edited by admin on Fri Dec 15 18:32:09 GMT 2023
PRIMARY
JECFA MONOGRAPH
73
Created by admin on Fri Dec 15 18:32:09 GMT 2023 , Edited by admin on Fri Dec 15 18:32:09 GMT 2023
PRIMARY