3-Hydroxy-5,5-Dimethylcyclohex-2-En-1-One
[CAS# 3471-13-4]

Identification

• Name: 3-Hydroxy-5,5-Dimethylcyclohex-2-En-1-One
• Synonyms: 3-Hydroxy-5,5-Dimethyl-Cyclohex-2-En-1-One; 3-Hydroxy-5,5-Dimethyl-1-Cyclohex-2-Enone; Zinc00153555
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18
• CAS Registry Number: 3471-13-4
• SMILES: CC1(CC(=O)C=C(O)C1)C
• InChI: 1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3,9H,4-5H2,1-2H3
• InChIKey: PQZVNKWTNLBLHJ-UHFFFAOYSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 221.493°C at 760 mmHg (Cal.)
• Flash point: 89.022°C (Cal.)

References

• (1): M. Bolte and M. Scholtyssik. Dimedone at 133K, Acta Cryst. (1997). C53, IUC9700013