Isovaleric Acid

• CAS: 503-74-2
• Catalog Number: ACM503742
• Category: Other Products
• Molecular Weight: 102.13
• Molecular Formula: C5H10O2
• Synonyms: 3-Methylbutyrate
• IUPAC Name: 3-Methylbutanoic acid
• Canonical SMILES: CC(C)CC(=O)O
• InChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
• InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N
• Boiling Point: 175-177 °C(lit.)
• Melting Point: -29 °C(lit.)
• Flash Point: 159 °F
• Density: 0.925 g/mL at 20 °C(lit.)
• Solubility: soluble in alcohol, ether, water
• Appearance: Liquid
• Storage: Store below +30 °C
• Assay: 0.99
• Complexity: 66.5
• Exact Mass: 102.068079557
• Monoisotopic Mass: 102.068079557
• Packaging: 1 ton
• Physical State: Liquid
• pKa: 4.77(at 25 °C)
• Refractive Index: n20/D 1.403(lit.)
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 37.3 Ų