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Details

Stereochemistry RACEMIC
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLHEXANOIC ACID

SMILES

CCCCC(C)C(O)=O

InChI

InChIKey=CVKMFSAVYPAZTQ-UHFFFAOYSA-N
InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C7H14O2
Molecular Weight 130.1849
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns.
2004 Jun 11
Normal-phase chiral liquid chromatography-mass spectrometry of non-UV-active compounds: applications for pharmaceutically relevant racemates.
2006 Jul 7
Predicting olfactory receptor neuron responses from odorant structure.
2007 May 4
Natural organic compounds as alternative to methyl bromide for nematodes control.
2008 Nov
Characterisation of the most odour-active compounds of bone tainted dry-cured Iberian ham.
2010 May
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:33:34 GMT 2023
Edited
by admin
on Fri Dec 15 17:33:34 GMT 2023
Record UNII
LUK37N0QM8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLHEXANOIC ACID
FHFI  
Systematic Name English
2-METHYLCAPROIC ACID
Systematic Name English
HEXANOIC ACID, 2-METHYL-
Common Name English
FEMA NO. 3191
Code English
2-METHYLHEXANOIC ACID [FHFI]
Common Name English
.ALPHA.-METHYLCAPROIC ACID
Systematic Name English
2-HEXANECARBOXYLIC ACID
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2-METHYLHEXANOIC ACID
Created by admin on Fri Dec 15 17:33:34 GMT 2023 , Edited by admin on Fri Dec 15 17:33:34 GMT 2023
Code System Code Type Description
PUBCHEM
20653
Created by admin on Fri Dec 15 17:33:34 GMT 2023 , Edited by admin on Fri Dec 15 17:33:34 GMT 2023
PRIMARY
FDA UNII
LUK37N0QM8
Created by admin on Fri Dec 15 17:33:34 GMT 2023 , Edited by admin on Fri Dec 15 17:33:34 GMT 2023
PRIMARY
SMS_ID
100000172752
Created by admin on Fri Dec 15 17:33:34 GMT 2023 , Edited by admin on Fri Dec 15 17:33:34 GMT 2023
PRIMARY
JECFA MONOGRAPH
646
Created by admin on Fri Dec 15 17:33:34 GMT 2023 , Edited by admin on Fri Dec 15 17:33:34 GMT 2023
PRIMARY
CAS
4536-23-6
Created by admin on Fri Dec 15 17:33:34 GMT 2023 , Edited by admin on Fri Dec 15 17:33:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-883-9
Created by admin on Fri Dec 15 17:33:34 GMT 2023 , Edited by admin on Fri Dec 15 17:33:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID9044241
Created by admin on Fri Dec 15 17:33:34 GMT 2023 , Edited by admin on Fri Dec 15 17:33:34 GMT 2023
PRIMARY