2-Butanoyl-3,5,6-Trihydroxy-4,6-Dimethylcyclohexa-2,4-Dien-1-One
[CAS# 79740-10-6]

Identification

• Name: 2-Butanoyl-3,5,6-Trihydroxy-4,6-Dimethylcyclohexa-2,4-Dien-1-One
• Synonyms: 2-Butanoyl-3,5,6-Trihydroxy-4,6-Dimethyl-Cyclohexa-2,4-Dien-1-One; 3,5,6-Trihydroxy-4,6-Dimethyl-2-(1-Oxobutyl)-1-Cyclohexa-2,4-Dienone; 2-Butyryl-3,5,6-Trihydroxy-4,6-Dimethyl-Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₁₂H₁₆O₅
• Molecular Weight: 240.26
• CAS Registry Number: 79740-10-6
• SMILES: C(C(=O)C1=C(O)C(=C(O)C(O)(C1=O)C)C)CC
• InChI: 1S/C12H16O5/c1-4-5-7(13)8-9(14)6(2)10(15)12(3,17)11(8)16/h14-15,17H,4-5H2,1-3H3
• InChIKey: PMLRQAFTZSDYLA-UHFFFAOYSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 523.618°C at 760 mmHg (Cal.)
• Flash point: 284.554°C (Cal.)