9-Ethoxymethyl-4-Formyl-3,8-Dihydroxy-1,6-Dimethyl-11-Oxodibenzo[b,e][1,4]Dioxepin-7-Carboxylic Acid
[CAS# 489-49-6]

Identification

• Name: 9-Ethoxymethyl-4-Formyl-3,8-Dihydroxy-1,6-Dimethyl-11-Oxodibenzo[b,e][1,4]Dioxepin-7-Carboxylic Acid
• Synonyms: 4-(Ethoxymethyl)-10-Formyl-3,9-Dihydroxy-1,7-Dimethyl-6-Oxo-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid; 4-(Ethoxymethyl)-10-Formyl-3,9-Dihydroxy-1,7-Dimethyl-6-Oxo-2-Benzo[B][1,4]Benzodioxepinecarboxylic Acid; 4-(Ethoxymethyl)-10-Formyl-3,9-Dihydroxy-6-Keto-1,7-Dimethyl-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid
• Molecular Formula: C₂₀H₁₈O₉
• Molecular Weight: 402.36
• CAS Registry Number: 489-49-6
• EINECS: 207-697-2
• SMILES: C3=C(C2=C(OC1=C(C)C(=C(C(=C1OC2=O)COCC)O)C(=O)O)C(=C3O)C=O)C
• InChI: 1S/C20H18O9/c1-4-27-7-11-15(23)14(19(24)25)9(3)16-18(11)29-20(26)13-8(2)5-12(22)10(6-21)17(13)28-16/h5-6,22-23H,4,7H2,1-3H3,(H,24,25)
• InChIKey: SPLUKWYWJOQKMJ-UHFFFAOYSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 657.946°C at 760 mmHg (Cal.)
• Flash point: 235.426°C (Cal.)