Ethyl 5-[4-(methylsulfanyl)phenyl]-5-oxopentanoate
[CAS# 854859-01-1]

Identification

• Name: Ethyl 5-[4-(methylsulfanyl)phenyl]-5-oxopentanoate
• Synonyms: ethyl 5-oxo-5-(4-thiomethylphenyl)valerate
• Molecular Formula: C₁₄H₁₈O₃S
• Molecular Weight: 266.36
• CAS Registry Number: 854859-01-1
• SMILES: CSc1ccc(cc1)C(=O)CCCC(=O)OCC
• InChI: 1S/C14H18O3S/c1-3-17-14(16)6-4-5-13(15)11-7-9-12(18-2)10-8-11/h7-10H,3-6H2,1-2H3
• InChIKey: QKHCNQQOXROBHU-UHFFFAOYSA-N

Properties

• Density: 1.132g/cm³ (Cal.)
• Boiling point: 406.665°C at 760 mmHg (Cal.)
• Flash point: 196.222°C (Cal.)
• Refractive index: 1.539 (Cal.)