Propyl isovalerate

• CAS: 557-00-6
• Catalog Number: ACM557006
• Category: Other Products
• Molecular Weight: 144.21
• Molecular Formula: C8H16O2
• Synonyms: Butanoic acid, 3-methyl-, propyl ester
• IUPAC Name: Propyl 3-methylbutanoate
• Canonical SMILES: CCCOC(=O)CC(C)C
• InChI: InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
• InChI Key: LSJMDWFAADPNAX-UHFFFAOYSA-N
• Boiling Point: 155.8 °C
• Melting Point: -63.35 °C
• Flash Point: 44 °C
• Density: 0.862 g/mL at 20 °C(lit.)
• Solubility: Soluble in organic solvents, alcohol; insoluble in water
• Exact Mass: 144.115029749
• Monoisotopic Mass: 144.115029749
• Odor: Fruity odor
• Physical State: Liquid
• Refractive Index: n20/D 1.403(lit.)
• Topological Polar Surface Area: 26.3 Ų