4-Allyl-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
[CAS# 856847-41-1]

Identification

• Name: 4-Allyl-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
• Synonyms: 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-4-(2-propen-1-yl)-; 3-PYRAZOLIN-5-ONE, 4-ALLYL-1,3-DIMETHYL- (5CI); 4-Allyl-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-on
• Molecular Formula: C₈H₁₂N₂O
• Molecular Weight: 152.19
• CAS Registry Number: 856847-41-1
• SMILES: Cc1c(c(=O)n([nH]1)C)CC=C
• InChI: 1S/C8H12N2O/c1-4-5-7-6(2)9-10(3)8(7)11/h4,9H,1,5H2,2-3H3
• InChIKey: GMTLSNYTOPGZKI-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 212.1±33.0°C at 760 mmHg (Cal.)
• Flash point: 82.1±25.4°C (Cal.)
• Refractive index: 1.49 (Cal.)