3-Ethynyl-5,5-Dimethyl-2-Cyclohexen-1-One
[CAS# 211183-36-7]

Identification

• Name: 3-Ethynyl-5,5-Dimethyl-2-Cyclohexen-1-One
• Synonyms: 3-ethynyl-5,5-dimethylcyclohex-2-enone
• Molecular Formula: C₁₀H₁₂O
• Molecular Weight: 148.20
• CAS Registry Number: 211183-36-7
• SMILES: CC1(CC(=CC(=O)C1)C#C)C
• InChI: 1S/C10H12O/c1-4-8-5-9(11)7-10(2,3)6-8/h1,5H,6-7H2,2-3H3
• InChIKey: LMXZQICSJVPGDW-UHFFFAOYSA-N

Properties

• Density: 0.983g/cm³ (Cal.)
• Boiling point: 193.164°C at 760 mmHg (Cal.)
• Flash point: 66.176°C (Cal.)
• Refractive index: 1.494 (Cal.)