Ethyl 4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate
[CAS# 7028-70-8]

Identification

• Name: Ethyl 4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate
• Synonyms: ethyl 4-oxo-4-(4-thiomethylphenyl)butyrate
• Molecular Formula: C₁₃H₁₆O₃S
• Molecular Weight: 252.33
• CAS Registry Number: 7028-70-8
• SMILES: CSc1ccc(cc1)C(=O)CCC(=O)OCC
• InChI: 1S/C13H16O3S/c1-3-16-13(15)9-8-12(14)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3
• InChIKey: VQCJYTUKLNFVHR-UHFFFAOYSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 394.536°C at 760 mmHg (Cal.)
• Flash point: 191.459°C (Cal.)