4-(Hydroxymethyl)-4-Methyl-1-Phenyl-3-Pyrazolidinone
[CAS# 13072-89-4]

Identification

• Name: 4-(Hydroxymethyl)-4-Methyl-1-Phenyl-3-Pyrazolidinone
• Synonyms: (4R)-4-(HYDROXYMETHYL)-4-METHYL-1-PHENYLPYRAZOLIDIN-3-ONE; (4S)-4-(HYDROXYMETHYL)-4-METHYL-1-PHENYLPYRAZOLIDIN-3-ONE; 1-PHENYL-4-METHYL-4-(HYDROXYMETHYL)-3-PYRAZOLIDONE
• Molecular Formula: C₁₁H₁₄N₂O₂
• Molecular Weight: 206.24
• CAS Registry Number: 13072-89-4
• SMILES: CC1(CN(NC1=O)C2=CC=CC=C2)CO
• InChI: 1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)
• InChIKey: DSVIHYOAKPVFEH-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 124-126°C (Expl.)
• Flash point: 110°C (Expl.)
• Refractive index: 1.561 (Cal.)

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R22;R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates skin and eyes, harmful if swallowed