Hexaethyl 2,2',2'',2''',2'''',2'''''-[heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,3 8,39,40,41,42-hexaylhexakis(oxy)]hexaacetate
[CAS# 97600-45-8]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Common analytical reagents
• Name: Hexaethyl 2,2',2'',2''',2'''',2'''''-[heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,3 8,39,40,41,42-hexaylhexakis(oxy)]hexaacetate
• Synonyms: 37,38,39,40,41,42-Hexaethoxycarbonylmethyleneoxycalix[6]arene; Amine ionophore I; Calix[6]arene-hexaacetic acid hexaethylester
• Molecular Formula: C₆₆H₇₂O₁₈
• Molecular Weight: 1153.27
• CAS Registry Number: 97600-45-8
• SMILES: O=C(OCC)COc1c7cccc1Cc2cccc(c2OCC(=O)OCC)Cc3cccc(c3OCC(=O)OCC)Cc4cccc(c4OCC(=O)OCC)Cc5c(OCC(=O)OCC)c(ccc5)Cc6cccc(c6OCC(=O)OCC)C7
• InChI: 1S/C66H72O18/c1-7-73-55(67)37-79-61-43-19-13-20-44(61)32-46-22-15-24-48(63(46)81-39-57(69)75-9-3)34-50-26-17-28-52(65(50)83-41-59(71)77-11-5)36-54-30-18-29-53(66(54)84-42-60(72)78-12-6)35-51-27-16-25-49(64(51)82-40-58(70)76-10-4)33-47-23-14-21-45(31-43)62(47)80-38-56(68)74-8-2/h13-30H,7-12,31-42H2,1-6H3
• InChIKey: LSVIETSWDFUREK-UHFFFAOYSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 1097.265°C at 760 mmHg (Cal.)
• Flash point: 400.545°C (Cal.)