4-Butyl-4-(Hydroxymethyl)-1-(4-Hydroxyphenyl)-2-Phenylpyrazolidine-3,5-Dione
[CAS# 84803-48-5]

Identification

• Name: 4-Butyl-4-(Hydroxymethyl)-1-(4-Hydroxyphenyl)-2-Phenylpyrazolidine-3,5-Dione
• Synonyms: 4-Butyl-4-(Hydroxymethyl)-1-(4-Hydroxyphenyl)-2-Phenyl-Pyrazolidine-3,5-Dione; 4-Butyl-1-(4-Hydroxyphenyl)-4-Methylol-2-Phenyl-Pyrazolidine-3,5-Quinone
• Molecular Formula: C₂₀H₂₂N₂O₄
• Molecular Weight: 354.40
• CAS Registry Number: 84803-48-5
• EINECS: 284-174-5
• SMILES: C1=CC(=CC=C1O)N2N(C(=O)C(C2=O)(CO)CCCC)C3=CC=CC=C3
• InChI: 1S/C20H22N2O4/c1-2-3-13-20(14-23)18(25)21(15-7-5-4-6-8-15)22(19(20)26)16-9-11-17(24)12-10-16/h4-12,23-24H,2-3,13-14H2,1H3
• InChIKey: BZLRLKIDKINDQD-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 533.014°C at 760 mmHg (Cal.)
• Flash point: 276.157°C (Cal.)