2,3-Dimethyl-5-Acetoxymethyl-p-Benzoquinone
[CAS# 40870-69-7]

Identification

• Name: 2,3-Dimethyl-5-Acetoxymethyl-p-Benzoquinone
• Synonyms: Acetic Acid (4,5-Dimethyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Methyl Ester; Acetic Acid (3,6-Diketo-4,5-Dimethyl-1-Cyclohexa-1,4-Dienyl)Methyl Ester; (4,5-Dimethyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)Methyl Ethanoate
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21
• CAS Registry Number: 40870-69-7
• SMILES: C(OC(=O)C)C1=CC(=O)C(=C(C1=O)C)C
• InChI: 1S/C11H12O4/c1-6-7(2)11(14)9(4-10(6)13)5-15-8(3)12/h4H,5H2,1-3H3
• InChIKey: ZIJFBURUJALJSL-UHFFFAOYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 297.201°C at 760 mmHg (Cal.)
• Flash point: 128.365°C (Cal.)