4,4-Dihydroxy-2-Isopropyl-5-Methyl-2,4-Dihydro-3H-Pyrazol-3-One
[CAS# 221325-62-8]

Identification

• Name: 4,4-Dihydroxy-2-Isopropyl-5-Methyl-2,4-Dihydro-3H-Pyrazol-3-One
• Synonyms: 4,4-dihydroxy-1-isopropyl-3-methyl-1H-pyrazol-5(4H)-one
• Molecular Formula: C₇H₁₂N₂O₃
• Molecular Weight: 172.18
• CAS Registry Number: 221325-62-8
• SMILES: OC1(O)C(\C)=N/N(C(C)C)C1=O
• InChI: 1S/C7H12N2O3/c1-4(2)9-6(10)7(11,12)5(3)8-9/h4,11-12H,1-3H3
• InChIKey: CPCWAGALLHBDLU-UHFFFAOYSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 302.788°C at 760 mmHg (Cal.)
• Flash point: 136.922°C (Cal.)
• Refractive index: 1.573 (Cal.)