1-(2,3,6-Trimethylphenyl)-2-Buten-1-One
[CAS# 56681-01-7]

Identification

• Name: 1-(2,3,6-Trimethylphenyl)-2-Buten-1-One
• Synonyms: 1-(2,3,6-Trimethylphenyl)-2-Buten-1-One
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.27
• CAS Registry Number: 56681-01-7
• EINECS: 260-335-5
• SMILES: C1=C(C(=C(C(=C1)C)C)C(\C=C/C)=O)C
• InChI: 1S/C13H16O/c1-5-6-12(14)13-10(3)8-7-9(2)11(13)4/h5-8H,1-4H3/b6-5-
• InChIKey: BKPHNRBKDWTWOI-WAYWQWQTSA-N

Properties

• Density: 0.959g/cm³ (Cal.)
• Boiling point: 311.605°C at 760 mmHg (Cal.)
• Flash point: 131.492°C (Cal.)