1-(2,3,6-Trimethylphenyl)But-3-En-2-One
[CAS# 54789-45-6]

Identification

• Name: 1-(2,3,6-Trimethylphenyl)But-3-En-2-One
• Synonyms: 3-Buten-2-One, 1-(2,3,6-Trimethylphenyl)-; 1-(2,3,6-Trimethylphenyl)-3-Buten-2-One
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.27
• CAS Registry Number: 54789-45-6
• SMILES: C1=C(C(=C(C(=C1)C)CC(=O)C=C)C)C
• InChI: 1S/C13H16O/c1-5-12(14)8-13-10(3)7-6-9(2)11(13)4/h5-7H,1,8H2,2-4H3
• InChIKey: KBGDCKHDBZJUKE-UHFFFAOYSA-N

Properties

• Density: 0.959g/cm³ (Cal.)
• Boiling point: 305.611°C at 760 mmHg (Cal.)
• Flash point: 112.676°C (Cal.)