1,3,8-Trihydroxy-6-Methoxy-2-(1-Oxohexyl)-9,10-Anthraquinone
[CAS# 10210-21-6]

Identification

• Name: 1,3,8-Trihydroxy-6-Methoxy-2-(1-Oxohexyl)-9,10-Anthraquinone
• Synonyms: 2-Hexanoyl-1,3,8-Trihydroxy-6-Methoxy-Anthracene-9,10-Dione; 1,3,8-Trihydroxy-6-Methoxy-2-(1-Oxohexyl)Anthracene-9,10-Dione; 2-Caproyl-1,3,8-Trihydroxy-6-Methoxy-9,10-Anthraquinone
• Molecular Formula: C₂₁H₂₀O₇
• Molecular Weight: 384.38
• CAS Registry Number: 10210-21-6
• SMILES: C1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)C(=O)CCCCC)O
• InChI: 1S/C21H20O7/c1-3-4-5-6-13(22)18-15(24)9-12-17(21(18)27)20(26)16-11(19(12)25)7-10(28-2)8-14(16)23/h7-9,23-24,27H,3-6H2,1-2H3
• InChIKey: MLTVHORGISIISB-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 613.404°C at 760 mmHg (Cal.)
• Flash point: 217.744°C (Cal.)