3,5-Dimethylcyclohexan-1-One
[CAS 7214-49-5]

Identification

• Name: 3,5-Dimethylcyclohexan-1-One
• Synonyms: 3,5-Dimethyl-1-Cyclohexanone; Cyclohexanone, 3,5-Dimethyl-, Cis-; Cis-3,5-Dimethylcyclohexanone
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.20
• CAS Registry Number: 7214-49-5
• SMILES: CC1CC(CC(C1)C)=O
• InChI: 1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3
• InChIKey: MSANHHHQJYQEOK-UHFFFAOYSA-N

Properties

• Density: 0.883g/cm³ (Cal.)
• Boiling point: 182.499°C at 760 mmHg (Cal.)
• Flash point: 53.762°C (Cal.)

References

• (1): Tomas Hudlicky and Josephine W. Reed. Applications of biotransformations and biocatalysis to complexity generation in organic synthesis, Chem. Soc. Rev., 2009, 38, 3117.