2-Chloro-3,5,5-Trimethyl-2-Cyclohexen-1-One
[CAS# 17304-82-4]

Identification

• Name: 2-Chloro-3,5,5-Trimethyl-2-Cyclohexen-1-One
• Synonyms: 2-Chloro-3,5,5-trimethyl-cyclohex-2; 2-CHLORO-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE; -enone
• Molecular Formula: C₉H₁₃ClO
• Molecular Weight: 172.65
• CAS Registry Number: 17304-82-4
• SMILES: O=C1C(\Cl)=C(/CC(C)(C)C1)C
• InChI: 1S/C9H13ClO/c1-6-4-9(2,3)5-7(11)8(6)10/h4-5H2,1-3H3
• InChIKey: IZTFFVNWFPDQFN-UHFFFAOYSA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 227.17°C at 760 mmHg (Cal.)
• Flash point: 118.351°C (Cal.)
• Refractive index: 1.485 (Cal.)