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

Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 3-METHYLPENTANOATE

SMILES

CCOC(=O)CC(C)CC

InChI

InChIKey=TXAWGHYFBQBVNK-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:00:42 GMT 2023
Edited
by admin
on Fri Dec 15 19:00:42 GMT 2023
Record UNII
0D51CRF76E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 3-METHYLPENTANOATE
FHFI  
Systematic Name English
ETHYL 3-METHYLVALERATE
Systematic Name English
ETHYL .BETA.-METHYLVALERATE
Systematic Name English
(±)-ETHYL 3-METHYLPENTANOATE
Systematic Name English
ETHYL 3-METHYLPENTANOATE [FHFI]
Common Name English
FEMA NO. 3679
Code English
PENTANOIC ACID, 3-METHYL-, ETHYL ESTER
Common Name English
VALERIC ACID, 3-METHYL-, ETHYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ETHYL 3-METHYLPENTANOATE
Created by admin on Fri Dec 15 19:00:42 GMT 2023 , Edited by admin on Fri Dec 15 19:00:42 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
227-524-4
Created by admin on Fri Dec 15 19:00:42 GMT 2023 , Edited by admin on Fri Dec 15 19:00:42 GMT 2023
PRIMARY
JECFA MONOGRAPH
36
Created by admin on Fri Dec 15 19:00:42 GMT 2023 , Edited by admin on Fri Dec 15 19:00:42 GMT 2023
PRIMARY
FDA UNII
0D51CRF76E
Created by admin on Fri Dec 15 19:00:42 GMT 2023 , Edited by admin on Fri Dec 15 19:00:42 GMT 2023
PRIMARY
PUBCHEM
560255
Created by admin on Fri Dec 15 19:00:42 GMT 2023 , Edited by admin on Fri Dec 15 19:00:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID00863637
Created by admin on Fri Dec 15 19:00:42 GMT 2023 , Edited by admin on Fri Dec 15 19:00:42 GMT 2023
PRIMARY
CAS
5870-68-8
Created by admin on Fri Dec 15 19:00:42 GMT 2023 , Edited by admin on Fri Dec 15 19:00:42 GMT 2023
PRIMARY