3-Acetyl-3,6-dimethyl-2-benzofuran-1(3H)-one
[CAS# 816429-83-1]

Identification

• Name: 3-Acetyl-3,6-dimethyl-2-benzofuran-1(3H)-one
• Synonyms: 3-acetyl-3,6-dimethylisobenzofuran-1(3H)-one
• Molecular Formula: C₁₂H₁₂O₃
• Molecular Weight: 204.22
• CAS Registry Number: 816429-83-1
• SMILES: Cc1ccc2c(c1)C(=O)OC2(C)C(=O)C
• InChI: 1S/C12H12O3/c1-7-4-5-10-9(6-7)11(14)15-12(10,3)8(2)13/h4-6H,1-3H3
• InChIKey: IMNUWRBUCOYYGD-UHFFFAOYSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 388.876°C at 760 mmHg (Cal.)
• Flash point: 175.915°C (Cal.)
• Refractive index: 1.543 (Cal.)