5-Tert-Butyl-2-(3-Methyl-Butyl)-2,4-Dihydro-Pyrazol-3-One
[CAS# 864685-45-0]

Identification

• Name: 5-Tert-Butyl-2-(3-Methyl-Butyl)-2,4-Dihydro-Pyrazol-3-One
• Synonyms: 3-Tert-Butyl-1-Isopentyl-1H-Pyrazol-5(4H)-One
• Molecular Formula: C₁₂H₂₂N₂O
• Molecular Weight: 210.32
• CAS Registry Number: 864685-45-0
• SMILES: C(N1N=C(C(C)(C)C)CC1=O)CC(C)C
• InChI: 1S/C12H22N2O/c1-9(2)6-7-14-11(15)8-10(13-14)12(3,4)5/h9H,6-8H2,1-5H3
• InChIKey: LWUBOSNXNBQRNO-UHFFFAOYSA-N

Properties

• Density: 0.996g/cm³ (Cal.)
• Boiling point: 272.466°C at 760 mmHg (Cal.)
• Flash point: 118.583°C (Cal.)