3,4,4-Trimethyl-2,5-Cyclohexadien-1-One
[CAS# 17429-31-1]

Identification

• Name: 3,4,4-Trimethyl-2,5-Cyclohexadien-1-One
• Synonyms: 3,4,4-Trimethyl-1-Cyclohexa-2,5-Dienone; 2,5-Cyclohexadien-1-One, 3,4,4-Trimethyl-; 3,4,4-Trimethyl-2,5-Cyclohexadienone
• Molecular Formula: C₉H₁₂O
• Molecular Weight: 136.19
• CAS Registry Number: 17429-31-1
• SMILES: CC1(C(=CC(=O)C=C1)C)C
• InChI: 1S/C9H12O/c1-7-6-8(10)4-5-9(7,2)3/h4-6H,1-3H3
• InChIKey: XWYNZKIPFPUMPJ-UHFFFAOYSA-N

Properties

• Density: 0.933g/cm³ (Cal.)
• Boiling point: 198.636°C at 760 mmHg (Cal.)
• Flash point: 70.451°C (Cal.)