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Sigma-Aldrich

4-Methylvaleric acid

99%

Synonym(s):

4-Methylpentanoic acid, Isocaproic acid

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About This Item

Linear Formula:
(CH3)2CHCH2CH2CO2H
CAS Number:
646-07-1
Molecular Weight:
116.16
Beilstein/REAXYS Number:
1741912
EC Number:
211-464-0
MDL number:
MFCD00002803
UNSPSC Code:
12352100
PubChem Substance ID:
24856788
NACRES:
NA.22

Quality Level

100

assay

99%

form

liquid

refractive index

n20/D 1.414 (lit.)

bp

199-201 °C (lit.)

density

0.923 g/mL at 25 °C (lit.)

SMILES string

CC(C)CCC(O)=O

InChI

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

InChI key

FGKJLKRYENPLQH-UHFFFAOYSA-N

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General description

Conductimetric detection of 4-methylvaleric acid on unfunctionized polymethacrylate resin (TSKgel G3000PWXL) columns has been reported.

Application

4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2′S)-2′,4′-dimethyl-valeryl)]-2-oxazolidinone.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1C

wgk_germany

WGK 3

flash_point_f

206.6 °F

flash_point_c

97 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Guerlavais V, et al.
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Journal of chromatography. A, 1039(1-2), 171-177 (2004-07-15)
The application of unfunctionized polymethacrylate resin (TSKgel G3000PWXL) as a stationary phase in liquid chromatography with conductimetric detection for C1-C7 aliphatic monocarboxylic acids (formic acid, acetic acid, propionic acid, butyric acid, isovaleric acid, valeric acid, 3,3-dimethylbutyric acid, 4-methylvaleric acid, hexanoic
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