3,8-Dihydroxy-1-Pentoxymethyl-6-Pentyl-11-Oxo-11H-Dibenzo[b,e][1,4]Dioxepin-7-Carboxylic Acid
[CAS# 73927-67-0]

Identification

• Name: 3,8-Dihydroxy-1-Pentoxymethyl-6-Pentyl-11-Oxo-11H-Dibenzo[b,e][1,4]Dioxepin-7-Carboxylic Acid
• Synonyms: 3,9-Dihydroxy-6-Oxo-7-(Pentoxymethyl)-1-Pentyl-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid; 3,9-Dihydroxy-6-Oxo-7-(Pentoxymethyl)-1-Pentyl-2-Benzo[B][1,4]Benzodioxepinecarboxylic Acid; 7-(Amoxymethyl)-1-Amyl-3,9-Dihydroxy-6-Keto-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid
• Molecular Formula: C₂₅H₃₀O₈
• Molecular Weight: 458.51
• CAS Registry Number: 73927-67-0
• SMILES: C3=C2OC(=O)C1=C(C=C(O)C=C1OC2=C(C(=C3O)C(=O)O)CCCCC)COCCCCC
• InChI: 1S/C25H30O8/c1-3-5-7-9-17-22(24(28)29)18(27)13-20-23(17)32-19-12-16(26)11-15(21(19)25(30)33-20)14-31-10-8-6-4-2/h11-13,26-27H,3-10,14H2,1-2H3,(H,28,29)
• InChIKey: KPZRCJGOBJJSNO-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 672.209°C at 760 mmHg (Cal.)
• Flash point: 226.458°C (Cal.)