Hexyl isobutyrate

• Catalog Number: ACM2349077
• Product Name: Hexyl isobutyrate
• CAS: 2349-07-7
• Category: Heterocyclic Organic Compound
• Synonyms: Propanoic acid, 2-methyl-, hexyl ester
• IUPAC Name: Hexyl-2-methylpropionate
• Molecular Weight: 172.26
• Molecular Formula: C10H20O2
• Canonical SMILES: CCCCCCOC(=O)C(C)C
• InChI: InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
• InChI Key: CYHBDKTZDLSRMY-UHFFFAOYSA-N
• Boiling Point: 202.6 °C
• Melting Point: -78 °C
• Flash Point: 164 °F
• Density: 0.86 g/mL at 25 °C(lit.)
• Exact Mass: 172.146329876
• Monoisotopic Mass: 172.146329876
• Physical State: Liquid
• Refractive Index: n20/D 1.413(lit.)
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 26.3 Ų