Isoamyl valerate

• Catalog Number: ACM2050091
• Product Name: Isoamyl valerate
• CAS: 2050-09-1
• Category: Heterocyclic Organic Compound
• Synonyms: Pentanoic acid, 3-methylbutyl ester
• IUPAC Name: 3-Methylbutyl pentanoate
• Molecular Weight: 172.26
• Molecular Formula: C10H20O2
• Canonical SMILES: CCCCC(=O)OCCC(C)C
• InChI: InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
• InChI Key: UBLAMKHIFZBBSS-UHFFFAOYSA-N
• Boiling Point: 196 °C
• Melting Point: -68.47 °C
• Flash Point: 71.4 °C
• Density: 0.862 g/mL at 20 °C(lit.)
• Exact Mass: 172.146329876
• Monoisotopic Mass: 172.146329876
• Physical State: Liquid
• Refractive Index: n20/D 1.416(lit.)
• Storage Conditions: Dry place
• Topological Polar Surface Area: 26.3 Ų