4-[2,6-Dimethyl-4-[(E)-2-Thiophen-2-Ylethenyl]Phenoxy]-4-Oxobutanoic Acid
[CAS# 125722-33-0]

Identification

• Name: 4-[2,6-Dimethyl-4-[(E)-2-Thiophen-2-Ylethenyl]Phenoxy]-4-Oxobutanoic Acid
• Synonyms: 4-[2,6-Dimethyl-4-[(E)-2-(2-Thienyl)Vinyl]Phenoxy]-4-Oxo-Butanoic Acid; 4-[2,6-Dimethyl-4-[(E)-2-(2-Thienyl)Vinyl]Phenoxy]-4-Oxobutanoic Acid; 4-[2,6-Dimethyl-4-[(E)-2-(2-Thienyl)Vinyl]Phenoxy]-4-Keto-Butyric Acid
• Molecular Formula: C₁₈H₁₈O₄S
• Molecular Weight: 330.40
• CAS Registry Number: 125722-33-0 (149539-02-6)
• SMILES: C1=C(C=C(C(=C1C)OC(=O)CCC(=O)O)C)\C=C\C2=CC=CS2
• InChI: 1S/C18H18O4S/c1-12-10-14(5-6-15-4-3-9-23-15)11-13(2)18(12)22-17(21)8-7-16(19)20/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/b6-5+
• InChIKey: OIDYLVFJAIPWBI-AATRIKPKSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 510.543°C at 760 mmHg (Cal.)
• Flash point: 262.567°C (Cal.)