4-(2,3,6-Trimethylphenyl)-3-Buten-2-One
[CAS# 56681-06-2]

Identification

• Name: 4-(2,3,6-Trimethylphenyl)-3-Buten-2-One
• Synonyms: 3-Buten-2-one, 4-(2,3,6-trimethylphenyl)-; 4-(2,3,6-Trimethylphenyl)-3-buten-2-on; 4-(2,3,6-Trimethylphenyl)-3-buten-2-one
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.27
• CAS Registry Number: 56681-06-2
• SMILES: Cc1ccc(c(c1C)C=CC(=O)C)C
• InChI: 1S/C13H16O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14/h5-8H,1-4H3
• InChIKey: AHHGVKNOSDJAQN-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 306.6±11.0°C at 760 mmHg (Cal.)
• Flash point: 113.1±18.5°C (Cal.)