1-(2,6-Dimethylphenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
[CAS# 898781-30-1]

Identification

• Name: 1-(2,6-Dimethylphenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
• Synonyms: 2',6'-dimethyl-3-(4-thiomethylphenyl)propiophenone
• Molecular Formula: C₁₈H₂₀OS
• Molecular Weight: 284.42
• CAS Registry Number: 898781-30-1
• SMILES: CSc2ccc(CCC(=O)c1c(C)cccc1C)cc2
• InChI: 1S/C18H20OS/c1-13-5-4-6-14(2)18(13)17(19)12-9-15-7-10-16(20-3)11-8-15/h4-8,10-11H,9,12H2,1-3H3
• InChIKey: MXZFCULUWUBTMB-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 443.775°C at 760 mmHg (Cal.)
• Flash point: 243.019°C (Cal.)
• Refractive index: 1.591 (Cal.)