277827

4-Methylvaleric acid

99%

• Synonym(s): 4-Methylpentanoic acid, Isocaproic acid
• Linear Formula: (CH₃)₂CHCH₂CH₂CO₂H
• CAS Number: 646-07-1
• Molecular Weight: 116.16
• Beilstein: 1741912
• EC Number: 211-464-0
• MDL number: MFCD00002803
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856788
• NACRES: NA.22

Properties

• 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.)
• 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.

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H314
• Precautionary Statements: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• 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