2-Hydroxy-6-Hydroxymethyl-3,5-Dimethyl-1,4-Benzoquinone
[CAS# 22631-97-6]

Identification

• Name: 2-Hydroxy-6-Hydroxymethyl-3,5-Dimethyl-1,4-Benzoquinone
• Synonyms: 2,6-Dimethyl-3-Hydroxymethyl-5-Hydroxy-1,4-Benzoquinone; Shanorellin; P-Benzoquinone, 2-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-
• Molecular Formula: C₉H₁₀O₄
• Molecular Weight: 182.18
• CAS Registry Number: 22631-97-6
• SMILES: C(O)C1=C(C(=C(C(=O)C1=O)C)O)C
• InChI: 1S/C9H10O4/c1-4-6(3-10)9(13)8(12)5(2)7(4)11/h10-11H,3H2,1-2H3
• InChIKey: NIZXGIRUXUPPCW-UHFFFAOYSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 325.687°C at 760 mmHg (Cal.)
• Flash point: 164.981°C (Cal.)