(2E)-4-Oxo-4-(Pentamethylphenyl)-2-Butenoic Acid
[CAS# 175136-58-0]

Identification

• Name: (2E)-4-Oxo-4-(Pentamethylphenyl)-2-Butenoic Acid
• Synonyms: 4-OXO-4-(2,3,4,5,6-PENTAMETHYLPHENYL)BUT-2-ENOICACID
• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30
• CAS Registry Number: 175136-58-0
• SMILES: CC1=C(C(=C(C(=C1C)C)C(=O)/C=C/C(=O)O)C)C
• InChI: 1S/C15H18O3/c1-8-9(2)11(4)15(12(5)10(8)3)13(16)6-7-14(17)18/h6-7H,1-5H3,(H,17,18)/b7-6+
• InChIKey: IMQBFRAZTGRJBA-VOTSOKGWSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 462.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 247.5±25.2°C (Cal.)
• Refractive index: 1.551 (Cal.)