3,5,5-Trimethylcyclohex-3-En-1-One
[CAS# 471-01-2]

Identification

• Name: 3,5,5-Trimethylcyclohex-3-En-1-One
• Synonyms: 3,5,5-Trimethyl-1-Cyclohex-3-Enone; .Beta.-Isophorone; 3,5,5-Trimethyl-3-Cyclohexen-1-One
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• CAS Registry Number: 471-01-2
• EINECS: 207-434-1
• SMILES: CC1=CC(CC(=O)C1)(C)C
• InChI: 1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
• InChIKey: LKOKKQDYMZUSCG-UHFFFAOYSA-N

Properties

• Density: 0.905g/cm³ (Cal.)
• Boiling point: 189.154°C at 760 mmHg (Cal.)
• Flash point: 64.212°C (Cal.)

References

• (1): Jianyong Mao, Xingbang Hu, Haoran Li, Yong Sun, Congmin Wang and Zhirong Chen. Iron chloride supported on pyridine-modified mesoporous silica: an efficient and reusable catalyst for the allylic oxidation of olefins with molecular oxygen, Green Chem., 2008, 10, 827.