1-(3,4-Dimethylphenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-33-4]

Identification

• Name: 1-(3,4-Dimethylphenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 3',4'-dimethyl-3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₈H₂₀OS
• Molecular Weight: 284.42
• CAS Registry Number: 898781-33-4
• SMILES: CSc2ccc(CCC(=O)c1ccc(C)c(C)c1)cc2
• InChI: 1S/C18H20OS/c1-13-4-8-16(12-14(13)2)18(19)11-7-15-5-9-17(20-3)10-6-15/h4-6,8-10,12H,7,11H2,1-3H3
• InChIKey: NNUXCQQINHGJPJ-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 450.493°C at 760 mmHg (Cal.)
• Flash point: 248.807°C (Cal.)
• Refractive index: 1.591 (Cal.)