3,5,5-Trimethyl-4-(1-Methylethylidene)-2-Cyclohexen-1-One
[CAS# 4705-09-3]

Identification

• Name: 3,5,5-Trimethyl-4-(1-Methylethylidene)-2-Cyclohexen-1-One
• Synonyms: 4-Isopropylidene-3,5,5-Trimethyl-Cyclohex-2-En-1-One; 4-Isopropylidene-3,5,5-Trimethyl-1-Cyclohex-2-Enone; 3,5,5-Trimethyl-4-Propan-2-Ylidene-Cyclohex-2-En-1-One
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.27
• CAS Registry Number: 4705-09-3
• EINECS: 225-188-3
• SMILES: CC1(C(C(=CC(=O)C1)C)=C(C)C)C
• InChI: 1S/C12H18O/c1-8(2)11-9(3)6-10(13)7-12(11,4)5/h6H,7H2,1-5H3
• InChIKey: MTLGZOPMHYWXRN-UHFFFAOYSA-N

Properties

• Density: 0.916g/cm³ (Cal.)
• Boiling point: 254.138°C at 760 mmHg (Cal.)
• Flash point: 108.668°C (Cal.)