3,3-Dimethyl-1-[2-(methylsulfanyl)phenyl]-1-butanone
[CAS# 898764-32-4]

Identification

• Name: 3,3-Dimethyl-1-[2-(methylsulfanyl)phenyl]-1-butanone
• Synonyms: 3,3-Dimethyl-2'-thiomethylbutyrophenone
• Molecular Formula: C₁₃H₁₈OS
• Molecular Weight: 222.35
• CAS Registry Number: 898764-32-4
• SMILES: CSc1ccccc1C(=O)CC(C)(C)C
• InChI: 1S/C13H18OS/c1-13(2,3)9-11(14)10-7-5-6-8-12(10)15-4/h5-8H,9H2,1-4H3
• InChIKey: IZCPSCQROHEDCO-UHFFFAOYSA-N

Properties

• Density: 1.028g/cm³ (Cal.)
• Boiling point: 311.069°C at 760 mmHg (Cal.)
• Flash point: 143.975°C (Cal.)
• Refractive index: 1.534 (Cal.)