1-Cyclohexyl-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-93-6]

Identification

• Name: 1-Cyclohexyl-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: cyclohexyl 2-(4-thiomethylphenyl)ethyl ketone
• Molecular Formula: C₁₆H₂₂OS
• Molecular Weight: 262.41
• CAS Registry Number: 898781-93-6
• SMILES: O=C(CCc1ccc(SC)cc1)C2CCCCC2
• InChI: 1S/C16H22OS/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9,12H2,1H3
• InChIKey: VYSRWGLCJADJIS-UHFFFAOYSA-N

Properties

• Density: 1.064g/cm³ (Cal.)
• Boiling point: 392.747°C at 760 mmHg (Cal.)
• Flash point: 203.876°C (Cal.)
• Refractive index: 1.554 (Cal.)