3,6,9,12,15-Pentaoxabicyclo[15.3.1]Henicosa-1(21),17,19-Triene
[CAS# 53914-83-3]

Identification

• Name: 3,6,9,12,15-Pentaoxabicyclo[15.3.1]Henicosa-1(21),17,19-Triene
• Synonyms: 3,6,9,12,15-Pentaoxabicyclo(15.3.1)Henicosa-1(21),17,19-Triene; 3,6,9,12,15-Pentaoxabicyclo[15.3.1]Henicosa-1(21),17,19-Triene
• Molecular Formula: C₁₆H₂₄O₅
• Molecular Weight: 296.36
• CAS Registry Number: 53914-83-3
• EINECS: 258-859-4
• SMILES: C1OCCOCCOCCOCCOCC2=CC1=CC=C2
• InChI: 1S/C16H24O5/c1-2-15-12-16(3-1)14-21-11-9-19-7-5-17-4-6-18-8-10-20-13-15/h1-3,12H,4-11,13-14H2
• InChIKey: CCTXQZRVMJXSIR-UHFFFAOYSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 458.6°C at 760 mmHg (Cal.)
• Flash point: 190.999°C (Cal.)

References

• (1): R. Goddard, C. M. Niemeyer and M. T. Reetz. Structure of 1,3-xylyl-(18-crown-5)-ammonium catecholborate (1/1), Acta Cryst. (1993). C49, 402-404