3-[(2E)-2-Butenoyl]-2,4,4-trimethyl-2-cyclohexen-1-yl acetate
[CAS# 945426-71-1]

Identification

• Name: 3-[(2E)-2-Butenoyl]-2,4,4-trimethyl-2-cyclohexen-1-yl acetate
• Synonyms: 4-Acetoxy-¦Â-damascone; 4-ACETOXY-Î’-DAMASCONE
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.33
• CAS Registry Number: 945426-71-1
• SMILES: CC=CC(=O)C1=C(C(CCC1(C)C)OC(=O)C)C
• InChI: 1S/C15H22O3/c1-6-7-12(17)14-10(2)13(18-11(3)16)8-9-15(14,4)5/h6-7,13H,8-9H2,1-5H3/b7-6+
• InChIKey: GEDDTPMAMRHVHC-VOTSOKGWSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 332.254°C at 760 mmHg (Cal.)
• Flash point: 141.926°C (Cal.)
• Refractive index: 1.489 (Cal.)