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4-Methylvaleric acid

Name: 4-Methylvaleric acid
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24856788

EC Number:

211-464-0

Beilstein/REAXYS Number:

1741912

MDL number:

MFCD00002803

Assay:

99%

Form:

liquid

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Properties

Quality Segment

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.)

functional group

carboxylic acid

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

Description

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

GHS05

signalword

Danger

hcodes

H314

pcodes

P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1C

Storage Class

8A - Combustible corrosive hazardous materials

flash_point_f

206.6 °F - closed cup

flash_point_c

97 °C - closed cup

ppe

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

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