(3E)-3-[[3-Ethoxy-4-Hydroxy-5-(Phenylsulfanylmethyl)Phenyl]Methylidene]Oxolan-2-One
[CAS# 107788-12-5]

Identification

• Name: (3E)-3-[[3-Ethoxy-4-Hydroxy-5-(Phenylsulfanylmethyl)Phenyl]Methylidene]Oxolan-2-One
• Synonyms: (3E)-3-[[3-Ethoxy-4-Hydroxy-5-(Phenylsulfanylmethyl)Phenyl]Methylene]Tetrahydrofuran-2-One; (3E)-3-[[3-Ethoxy-4-Hydroxy-5-[(Phenylthio)Methyl]Phenyl]Methylene]-2-Tetrahydrofuranone; (3E)-3-[3-Ethoxy-4-Hydroxy-5-[(Phenylthio)Methyl]Benzylidene]Tetrahydrofuran-2-One
• Molecular Formula: C₂₀H₂₀O₄S
• Molecular Weight: 356.44
• CAS Registry Number: 107788-12-5
• SMILES: C1=C(C(=C(C=C1\C=C/2C(OCC2)=O)CSC3=CC=CC=C3)O)OCC
• InChI: 1S/C20H20O4S/c1-2-23-18-12-14(10-15-8-9-24-20(15)22)11-16(19(18)21)13-25-17-6-4-3-5-7-17/h3-7,10-12,21H,2,8-9,13H2,1H3/b15-10+
• InChIKey: PTLUDKAYBMPHQI-XNTDXEJSSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 579.182°C at 760 mmHg (Cal.)
• Flash point: 304.079°C (Cal.)