3,6,6-Trimethyl-2-Cyclohexen-1-One
[CAS 23438-77-9]

Identification

• Name: 3,6,6-Trimethyl-2-Cyclohexen-1-One
• Synonyms: 3,6,6-Trimethyl-1-Cyclohex-2-Enone; 2-Cyclohexen-1-One, 3,6,6-Trimethyl-; Nsc246156
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• CAS Registry Number: 23438-77-9
• SMILES: CC1(CCC(=CC1=O)C)C
• InChI: 1S/C9H14O/c1-7-4-5-9(2,3)8(10)6-7/h6H,4-5H2,1-3H3
• InChIKey: DKUDUXARZQESDM-UHFFFAOYSA-N

Properties

• Density: 0.905g/cm³ (Cal.)
• Boiling point: 196.93°C at 760 mmHg (Cal.)
• Flash point: 75.684°C (Cal.)

References

• (1): Benoît De Boeck, Nicola M. A. Herbert, Nicole M. Harrington-Frost and Gerald Pattenden. Vinylcyclopropylacyl and polyeneacyl radicals. Intramolecular ketene alkyl radical additions in ring synthesis, Org. Biomol. Chem., 2005, 3, 328.