Sodium ketoisocaproate

• Catalog Number: ACM4502005
• Product Name: Sodium ketoisocaproate
• CAS: 4502-00-5
• Category: Heterocyclic Organic Compound
• Synonyms: A-ketoisocaproic acid sodium
• IUPAC Name: Sodium;4-methyl-2-oxopentanoate
• Molecular Weight: 152.12
• Molecular Formula: C6H9NaO3
• Canonical SMILES: CC(C)CC(=O)C(=O)[O-].[Na+]
• InChI: InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
• InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M
• Melting Point: 275 °C(lit.)
• Solubility: Soluble in water
• Appearance: White to off-white solid
• Storage: 2-8 °C
• Complexity: 131
• EC Number: 224-816-3
• Exact Mass: 152.04493843
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Monoisotopic Mass: 152.04493843
• Safety Description: S24/25:Avoid contact with skin and eyes .; S22:Do not breathe dust .
• Topological Polar Surface Area: 57.2 Ų
• WGK Germany: 3