3-(2,6-Dimethylphenyl)-1-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898754-61-5]

Identification

• Name: 3-(2,6-Dimethylphenyl)-1-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 3-(2,6-dimethylphenyl)-4'-thiomethylpropiophenone
• Molecular Formula: C₁₈H₂₀OS
• Molecular Weight: 284.42
• CAS Registry Number: 898754-61-5
• SMILES: CSc1ccc(cc1)C(=O)CCc2c(C)cccc2C
• InChI: 1S/C18H20OS/c1-13-5-4-6-14(2)17(13)11-12-18(19)15-7-9-16(20-3)10-8-15/h4-10H,11-12H2,1-3H3
• InChIKey: UEKCKQJXGVFIOF-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.)