1-Cyclobutyl-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-89-0]

Identification

• Name: 1-Cyclobutyl-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: cyclobutyl 2-(4-thiomethylphenyl)ethyl ketone
• Molecular Formula: C₁₄H₁₈OS
• Molecular Weight: 234.36
• CAS Registry Number: 898781-89-0
• SMILES: O=C(CCc1ccc(SC)cc1)C2CCC2
• InChI: 1S/C14H18OS/c1-16-13-8-5-11(6-9-13)7-10-14(15)12-3-2-4-12/h5-6,8-9,12H,2-4,7,10H2,1H3
• InChIKey: JMEQGBDXXHBGBY-UHFFFAOYSA-N

Properties

• Density: 1.095g/cm³ (Cal.)
• Boiling point: 361.384°C at 760 mmHg (Cal.)
• Flash point: 186.213°C (Cal.)
• Refractive index: 1.566 (Cal.)