Metbufen
[CAS# 63472-04-8]

Identification

• Name: Metbufen
• Synonyms: 4-Keto-2-Methyl-4-(4-Phenylphenyl)Butyric Acid; 3-(4-Biphenylylcarbonyl)-2-Methylpropionic Acid; 3-(4-Biphenylylcarbonyl)-2-Methylpropionsaeure
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.31
• CAS Registry Number: 63472-04-8
• SMILES: C1=CC(=CC=C1C2=CC=CC=C2)C(CC(C(O)=O)C)=O
• InChI: 1S/C17H16O3/c1-12(17(19)20)11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,20)
• InChIKey: FDRDUFLWFSLNFT-UHFFFAOYSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 471.629°C at 760 mmHg (Cal.)
• Flash point: 253.146°C (Cal.)