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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

PubMed

PubMed

TitleDatePubMed
Characterisation of the most odour-active compounds of bone tainted dry-cured Iberian ham.
2010 May
Rate enhancement of an interfacial biochemical reaction through localization of substrate and enzyme by an adaptor domain.
2010 Nov 25
Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.
2010 Sep
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:49:11 GMT 2023
Edited
by admin
on Fri Dec 15 16:49:11 GMT 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 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
JECFA EVALUATION 2-METHYLVALERIC ACID
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
Code System Code Type Description
EVMPD
SUB72466
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
MESH
C033617
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
FDA UNII
26A19CG6J9
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
SMS_ID
100000135863
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID9021633
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-594-9
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
PUBCHEM
7341
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
JECFA MONOGRAPH
421
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
CAS
97-61-0
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
CHEBI
167644
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
NSC
8406
Created by admin on Fri Dec 15 16:49:11 GMT 2023 , Edited by admin on Fri Dec 15 16:49:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (GC)
EP