3,5,5-Trimethyl-4-[(1E)-3-Oxo-1-Buten-1-Yl]-2-Cyclohexen-1-One
[CAS# 20194-68-7]

Identification

• Name: 3,5,5-Trimethyl-4-[(1E)-3-Oxo-1-Buten-1-Yl]-2-Cyclohexen-1-One
• Synonyms: 3,5,5-Trimethyl-4-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one #; 3-Oxo-α-ionone
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 20194-68-7
• SMILES: O=C1\C=C(/C(/C=C/C(=O)C)C(C)(C)C1)C
• InChI: 1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3/b6-5+
• InChIKey: MLYOGKJJENFVJN-AATRIKPKSA-N

Properties

• Density: 1.02g/cm³ (Cal.)
• Boiling point: 319.646°C at 760 mmHg (Cal.)
• Flash point: 119.705°C (Cal.)
• Refractive index: 1.524 (Cal.)