Butyl isovalerate

• Catalog Number: ACM109193
• Product Name: Butyl isovalerate
• CAS: 109-19-3
• Category: Heterocyclic Organic Compound
• Synonyms: Butyl isopentanoate
• IUPAC Name: Butyl 3-methylbutanoate
• Molecular Weight: 158.24
• Molecular Formula: C9H18O2
• Canonical SMILES: CCCCOC(=O)CC(C)C
• InChI: InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
• InChI Key: AYWJSCLAAPJZEF-UHFFFAOYSA-N
• Boiling Point: 175 °C
• Melting Point: -92.8 °C
• Flash Point: 145 °F
• Density: 0.858 g/mL at 25 °C(lit.)
• Solubility: Soluble in organic solvents, alcohol; insoluble in water
• Assay: 0.99
• Exact Mass: 158.130679813
• Monoisotopic Mass: 158.130679813
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.409(lit.)
• Topological Polar Surface Area: 26.3 Ų