1,6,6-Trimethylcyclohexene-3-One
[CAS# 17299-41-1]

Identification

• Name: 1,6,6-Trimethylcyclohexene-3-One
• Synonyms: 3,4,4-Trimethyl-1-Cyclohex-2-Enone; 2-Cyclohexen-1-One, 3,4,4-Trimethyl-; 3,4,4-Trimethyl-2-Cyclohexen-1-One
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• CAS Registry Number: 17299-41-1
• SMILES: CC1(C(=CC(=O)CC1)C)C
• InChI: 1S/C9H14O/c1-7-6-8(10)4-5-9(7,2)3/h6H,4-5H2,1-3H3
• InChIKey: LJILDAULEWAKOE-UHFFFAOYSA-N

Properties

• Density: 0.905g/cm³ (Cal.)
• Boiling point: 216.999°C at 760 mmHg (Cal.)
• Flash point: 75.684°C (Cal.)