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Details

Stereochemistry RACEMIC
Molecular Formula C6H12O2
Molecular Weight 116.1583
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLPENTANOIC ACID

SMILES

CCCC(C)C(O)=O

InChI

InChIKey=OVBFMEVBMNZIBR-UHFFFAOYSA-N
InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

HIDE SMILES / InChI
Molecular Formula C6H12O2
Molecular Weight 116.1583
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:49:11 UTC 2023
Edited
by admin
on Fri Dec 15 16:49:11 UTC 2023
Record UNII
26A19CG6J9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLPENTANOIC ACID
FCC  
Systematic Name English
2-METHYLVALERIC ACID [FHFI]
Common Name English
NSC-8406
Code English
VALERIC ACID, 2-METHYL-
Common Name English
VALPROIC ACID IMPURITY L [EP IMPURITY]
Common Name English
2-METHYLVALERIC ACID
FHFI  
Systematic Name English
2-PENTANECARBOXYLIC ACID
Systematic Name English
DL-2-METHYLPENTANOIC ACID
Common Name English
(+-)-2-METHYLPENTANOIC ACID
Systematic Name English
2-METHYLPENTANOIC ACID [FCC]
Common Name English
FEMA NO. 2754
Code English
PENTANOIC ACID, 2-METHYL-
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
JECFA EVALUATION 2-METHYLVALERIC ACID
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
Code System Code Type Description
EVMPD
SUB72466
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
MESH
C033617
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
FDA UNII
26A19CG6J9
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
SMS_ID
100000135863
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID9021633
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
ECHA (EC/EINECS)
202-594-9
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
PUBCHEM
7341
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
JECFA MONOGRAPH
421
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
CAS
97-61-0
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
CHEBI
167644
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
NSC
8406
Created by admin on Fri Dec 15 16:49:11 UTC 2023 , Edited by admin on Fri Dec 15 16:49:11 UTC 2023
PRIMARY
Related Record Type Details
Structure of VALPROIC ACID
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (GC)
EP
NIH
NCATS
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