Isobutyl hexanoate

• CAS: 105-79-3
• Catalog Number: ACM105793
• Category: Other Products
• Molecular Weight: 172.26
• Molecular Formula: C10H20O2
• Synonyms: Isobutyl caproate
• IUPAC Name: 2-Methylpropyl hexanoate
• Canonical SMILES: CCCCCC(=O)OCC(C)C
• InChI: InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
• InChI Key: UXUPPWPIGVTVQI-UHFFFAOYSA-N
• Boiling Point: 348-350 °C
• Melting Point: -64.3 °C
• Flash Point: 169 °F
• Density: 0.856 g/mL at 25 °C(lit.)
• Assay: 0.99
• Exact Mass: 172.146329876
• Monoisotopic Mass: 172.146329876
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.414(lit.)
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 26.3 Ų