1-(6-Methyl-1,3-benzodioxol-5-yl)ethanone
[CAS# 96543-89-4]

Identification

• Name: 1-(6-Methyl-1,3-benzodioxol-5-yl)ethanone
• Synonyms: 1-(6-methyl-2H-1,3-benzodioxol-5-yl)ethan-1-one; NSC113067
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.18
• CAS Registry Number: 96543-89-4
• SMILES: O=C(c1c(cc2OCOc2c1)C)C
• InChI: 1S/C10H10O3/c1-6-3-9-10(13-5-12-9)4-8(6)7(2)11/h3-4H,5H2,1-2H3
• InChIKey: KAVOCUHQVRBQAL-UHFFFAOYSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 311.748°C at 760 mmHg (Cal.)
• Flash point: 133.301°C (Cal.)