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Details

Stereochemistry RACEMIC
Molecular Formula C7H12O3
Molecular Weight 144.1684
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-OXO-3-METHYLPENTANOATE

SMILES

CCC(C)C(=O)C(=O)OC

InChI

InChIKey=ZPSBJVARKCHQDF-UHFFFAOYSA-N
InChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
METHYL 2-OXO-3-METHYLPENTANOATE
FHFI  
Systematic Name English
FEMA NO. 3713
Preferred Name English
METHYL 2-OXO-3-METHYLPENTANOATE [FHFI]
Common Name English
(±)-METHYL 2-OXO-3-METHYLPENTANOATE
Systematic Name English
METHYL 3-METHYL-2-OXOPENTANOATE
Systematic Name English
VALERIC ACID, 3-METHYL-2-OXO-, METHYL ESTER
Common Name English
PENTANOIC ACID, 3-METHYL-2-OXO-, METHYL ESTER
Common Name English
METHYL 2-OXO-3-METHYLPENTANOATE, (±)-
Systematic Name English
METHYL 3-METHYL-2-OXOVALERATE
Systematic Name English
METHYL 2-KETO-3-METHYLVALERATE
Systematic Name English
Code System Code Type Description
CAS
3682-42-6
Created by admin on Mon Mar 31 19:08:06 GMT 2025 , Edited by admin on Mon Mar 31 19:08:06 GMT 2025
PRIMARY
PUBCHEM
545106
Created by admin on Mon Mar 31 19:08:06 GMT 2025 , Edited by admin on Mon Mar 31 19:08:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID10863244
Created by admin on Mon Mar 31 19:08:06 GMT 2025 , Edited by admin on Mon Mar 31 19:08:06 GMT 2025
PRIMARY
JECFA MONOGRAPH
686
Created by admin on Mon Mar 31 19:08:06 GMT 2025 , Edited by admin on Mon Mar 31 19:08:06 GMT 2025
PRIMARY
FDA UNII
9909D8DVH1
Created by admin on Mon Mar 31 19:08:06 GMT 2025 , Edited by admin on Mon Mar 31 19:08:06 GMT 2025
PRIMARY