1-[5-(tert-Butyl)-2-Methylphenyl]-2-Buten-1-One
[CAS# 93942-47-3]

Identification

• Name: 1-[5-(tert-Butyl)-2-Methylphenyl]-2-Buten-1-One
• Synonyms: (E)-1-(5-Tert-Butyl-2-Methyl-Phenyl)But-2-En-1-One; 1-(5-(Tert-Butyl)-2-Methylphenyl)-2-Buten-1-One
• Molecular Formula: C₁₅H₂₀O
• Molecular Weight: 216.32
• CAS Registry Number: 93942-47-3
• EINECS: 300-600-5
• SMILES: C1=C(C(C)(C)C)C=CC(=C1C(=O)\C=C\C)C
• InChI: 1S/C15H20O/c1-6-7-14(16)13-10-12(15(3,4)5)9-8-11(13)2/h6-10H,1-5H3/b7-6+
• InChIKey: VJEAIPXARJXWIU-VOTSOKGWSA-N

Properties

• Density: 0.938g/cm³ (Cal.)
• Boiling point: 318.242°C at 760 mmHg (Cal.)
• Flash point: 132.506°C (Cal.)