5-[(E)-6,7-Dihydroxy-3,7-Dimethyloct-2-Enoxy]Pyrano[5,6-f][1]Benzoxol-7-One
[CAS# 105866-29-3]

Identification

• Name: 5-[(E)-6,7-Dihydroxy-3,7-Dimethyloct-2-Enoxy]Pyrano[5,6-f][1]Benzoxol-7-One
• Synonyms: 5-[(E)-6,7-Dihydroxy-3,7-Dimethyl-Oct-2-Enoxy]Pyrano[5,6-F]Benzofuran-7-One; 5-[(E)-6,7-Dihydroxy-3,7-Dimethyloct-2-Enoxy]-7-Pyrano[5,6-F]Benzofuranone; 5-[(E)-6,7-Dihydroxy-3,7-Dimethyl-Oct-2-Enoxy]Pyrano[5,6-F][1]Benzoxol-7-One
• Molecular Formula: C₂₁H₂₄O₆
• Molecular Weight: 372.42
• CAS Registry Number: 105866-29-3
• SMILES: C1=C3C(=CC2=C1C=CO2)OC(=O)C=C3OC\C=C(\CCC(O)C(O)(C)C)C
• InChI: 1S/C21H24O6/c1-13(4-5-19(22)21(2,3)24)6-8-26-17-12-20(23)27-18-11-16-14(7-9-25-16)10-15(17)18/h6-7,9-12,19,22,24H,4-5,8H2,1-3H3/b13-6+
• InChIKey: QBXLTTSHNDZQPD-AWNIVKPZSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 593.56°C at 760 mmHg (Cal.)
• Flash point: 312.774°C (Cal.)