4-Butyl-2,5-Dihydro-5-Oxo-1,2-Diphenyl-1H-Pyrazol-3-Yl 3,4,5-Trimethoxybenzoate
[CAS# 16006-74-9]

Identification

• Name: 4-Butyl-2,5-Dihydro-5-Oxo-1,2-Diphenyl-1H-Pyrazol-3-Yl 3,4,5-Trimethoxybenzoate
• Synonyms: 3,4,5-Trimethoxybenzoic Acid [4-Butyl-5-Oxo-1,2-Di(Phenyl)-3-Pyrazolyl] Ester; 3,4,5-Trimethoxybenzoic Acid [4-Butyl-5-Keto-1,2-Di(Phenyl)Pyrazol-3-Yl] Ester; Benzoic Acid, 3,4,5-Trimethoxy-, Ester With 4-Butyl-1,2-Diphenyl-3-Hydroxy-3-Pyrazolin-5-One
• Molecular Formula: C₂₉H₃₀N₂O₆
• Molecular Weight: 502.57
• CAS Registry Number: 16006-74-9
• EINECS: 240-138-0
• SMILES: C1=CC=CC=C1N2C(=C(CCCC)C(N2C3=CC=CC=C3)=O)OC(C4=CC(=C(C(=C4)OC)OC)OC)=O
• InChI: 1S/C29H30N2O6/c1-5-6-17-23-27(32)30(21-13-9-7-10-14-21)31(22-15-11-8-12-16-22)28(23)37-29(33)20-18-24(34-2)26(36-4)25(19-20)35-3/h7-16,18-19H,5-6,17H2,1-4H3
• InChIKey: LAVQJQXAUQINRC-UHFFFAOYSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 577.759°C at 760 mmHg (Cal.)
• Flash point: 303.218°C (Cal.)