Isoamyl caproate

• Catalog Number: ACM2198610
• Product Name: Isoamyl caproate
• CAS: 2198-61-0
• Category: Heterocyclic Organic Compound
• Synonyms: Isopentyl hexanoate
• IUPAC Name: 3-Methylbutyl hexanoate
• Molecular Weight: 186.29
• Molecular Formula: C11H22O2
• Canonical SMILES: CCCCCC(=O)OCCC(C)C
• InChI: InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
• InChI Key: XVSZRAWFCDHCBP-UHFFFAOYSA-N
• Boiling Point: 222 °C
• Melting Point: -47 °C
• Flash Point: 185 °F
• Density: 0.86 g/mL at 25 °C(lit.)
• Solubility: Soluble in ethanol and fixed oils, insoluble in glycerol, propylene glycol and water
• Exact Mass: 186.16197994
• Monoisotopic Mass: 186.16197994
• Physical State: Liquid
• Refractive Index: n20/D 1.42(lit.)
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 26.3 Ų