198994

Sodium 3-methyl-2-oxobutyrate

95%

• Synonym(s): α-Ketoisovaleric acid sodium salt, 2-Keto-3-methylbutyric acid sodium salt, 3-Methyl-2-oxobutanoic acid sodium salt, 3-Methyl-2-oxobutyric acid sodium salt, Ketovaline sodium salt
• Linear Formula: (CH₃)₂CHCOCOONa
• CAS Number: 3715-29-5
• Molecular Weight: 138.10
• Beilstein/REAXYS Number: 4334552
• EC Number: 223-062-2
• MDL number: MFCD00002581
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851887
• NACRES: NA.22

Properties

• assay: 95%
• form: solid
• greener alternative product score: old score: 14; new score: 9; Find out more about DOZN™ Scoring
• greener alternative product characteristics: Waste Prevention; Atom Economy; Safer Solvents and Auxiliaries; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• mp: 220-230 °C (dec.) (lit.)
• solubility: water: soluble 100 mg/mL, clear, colorless
• functional group: ketone
• greener alternative category: , Re-engineered
• SMILES string: [Na+].CC(C)C(=O)C([O-])=O
• InChI: 1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1
• InChI key: WIQBZDCJCRFGKA-UHFFFAOYSA-M

Description

Application

Sodium 3-methyl-2-oxobutyrate (3-Methyl-2-oxobutanoic acid sodium salt) was used in the synthesis of (S)-2-hydroxy-3-methylbutanoic acid.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)