3-METHYLPENTANOIC ACID

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

SMILES

CCC(C)CC(O)=O

InChI

InChIKey=IGIDLTISMCAULB-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Approval Year

PubMed

Show entries

Title	Date	PubMed
Solid-phase microextraction method for carbon isotopic analysis of volatile carboxylic acids in human plasma by gas chromatography/combustion/isotope ratio mass spectrometry.	2006	17083131
Polydimethylsiloxane-based permeation passive air sampler. Part II: Effect of temperature and humidity on the calibration constants.	2010 Dec 10	21067763

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Patents

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Name

Type

Language

3-METHYLPENTANOIC ACID

Systematic Name

English

FEMA NO. 3437

Code

English

VALERIC ACID, 3-METHYL-

Common Name

English

3-METHYL VALERIC ACID

Systematic Name

English

.BETA.-METHYLVALERIC ACID

Systematic Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

3-METHYLPENTANOIC ACID

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Code System

Code

Type

Description

PUBCHEM

7755

PRIMARY

EPA CompTox

DTXSID20861716

PRIMARY

JECFA MONOGRAPH

422

PRIMARY

ECHA (EC/EINECS)

203-297-7

PRIMARY

FDA UNII

85FS4Y39LJ

PRIMARY

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SUBSTANCE RECORD


					85FS4Y39LJ

3-METHYLPENTANOIC ACID