trans-2-Hexenyl acetate

• Catalog Number: ACM2497189
• Product Name: trans-2-Hexenyl acetate
• CAS: 2497-18-9
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Hexen-1-yl-acetate
• IUPAC Name: [(E)-Hex-2-enyl] acetate
• Molecular Weight: 142.2
• Molecular Formula: C₈H₁₄O₂
• Canonical SMILES: CCCC=CCOC(=O)C
• InChI: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
• InChI Key: HRHOWZHRCRZVCU-AATRIKPKSA-N
• Boiling Point: 165-166 °C
• Melting Point: -65.52 °C
• Flash Point: 137 °F
• Density: 0.898 g/mL at 25 °C(lit.)
• Solubility: Very slightly soluble in water; soluble in oils
• Exact Mass: 142.099379685
• Isomeric SMILES: CCC/C=C/COC(=O)C
• Monoisotopic Mass: 142.099379685
• Physical State: Liquid
• Refractive Index: n20/D 1.427(lit.)
• Storage Conditions: Inert atmosphere,2-8 °C
• Topological Polar Surface Area: 26.3 Ų