cis-3-Hexenyl 2-methylbutanoate

• CAS: 53398-85-9
• Catalog Number: ACM53398859
• Category: Other Products
• Molecular Weight: 184.27
• Molecular Formula: C11H20O2
• Synonyms: Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester
• IUPAC Name: [(Z)-Hex-3-enyl] 2-methylbutanoate
• Canonical SMILES: CCC=CCCOC(=O)C(C)CC
• InChI: InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
• InChI Key: JKKGTSUICJWEKB-SREVYHEPSA-N
• Boiling Point: 228.24 °C
• Melting Point: -58.7 °C
• Flash Point: 182 °F
• Density: 0.878 g/mL at 25 °C(lit.)
• Appearance: Colorless liquid
• Assay: 0.97
• Exact Mass: 184.146329876
• Isomeric SMILES: CC/C=C\CCOC(=O)C(C)CC
• Monoisotopic Mass: 184.146329876
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: n20/D 1.432(lit.)
• Storage Conditions: Dry place,2-8 °C
• Topological Polar Surface Area: 26.3 Ų