2-Methylbutyl isovalerate

• CAS: 2445-77-4
• Catalog Number: ACM2445774
• Category: Other Products
• Molecular Weight: 172.26
• Molecular Formula: C₁₀H₂₀O₂
• Synonyms: 2-Methylbutyl isopentanoate
• IUPAC Name: 2-Methylbutyl 3-methylbutanoate
• Canonical SMILES: CCC(C)COC(=O)CC(C)C
• InChI: InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3
• InChI Key: CYGPPWVXOWCHJB-UHFFFAOYSA-N
• Boiling Point: 191-195 °C
• Melting Point: -68.47 °C
• Flash Point: 143 °F
• Density: 0.858 g/mL at 25 °C(lit.)
• Exact Mass: 172.146329876
• Monoisotopic Mass: 172.146329876
• Physical State: Liquid
• Refractive Index: n20/D 1.414(lit.)
• Topological Polar Surface Area: 26.3 Ų