cis-3-Hexenyl isovalerate

• CAS: 35154-45-1
• Catalog Number: ACM35154451
• Category: Other Products
• Molecular Weight: 184.27
• Molecular Formula: C₁₁H₂₀O₂
• Synonyms: Isovaleric acid cis-3-hexenyl ester
• IUPAC Name: [(Z)-Hex-3-enyl] 3-methylbutanoate
• Canonical SMILES: CCC=CCCOC(=O)CC(C)C
• InChI: InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
• InChI Key: AIQLNKITFBJPFO-WAYWQWQTSA-N
• Boiling Point: 98 °C
• Melting Point: 13.63 °C
• Flash Point: 140 °F
• Density: 0.874 g/mL at 25 °C(lit.)
• Solubility: Soluble in alcohool, most fixed oils; insolouble in water
• Exact Mass: 184.146329876
• Isomeric SMILES: CC/C=C\CCOC(=O)CC(C)C
• Monoisotopic Mass: 184.146329876
• Odor: Swet, apple-like odor
• Physical State: Liquid
• Refractive Index: n20/D 1.432(lit.)
• Topological Polar Surface Area: 26.3 Ų