277827
4-Methylvaleric acid
99%
Synonym(s):
4-Methylpentanoic acid, Isocaproic acid
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About This Item
Linear Formula:
(CH3)2CHCH2CH2CO2H
CAS Number:
Molecular Weight:
116.16
Beilstein:
1741912
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1C
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
206.6 °F - closed cup
Flash Point(C)
97 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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