4',4''(5'')-Di-Tert-Butyldicyclohexano-18-Crown-6
[CAS# 28801-57-2]

Identification

• Classification: Chemical reagent >> Organic reagent >> Crown ether
• Name: 4',4''(5'')-Di-Tert-Butyldicyclohexano-18-Crown-6
• Synonyms: Eicosahydro-2,?-Bis(1,1-Dimethylethyl)Dibenzo(B,K)(1,4,7,10,13,16)Hexaoxacyclooctadecin
• Molecular Formula: C₂₈H₅₂O₆
• Molecular Weight: 484.72
• CAS Registry Number: 28801-57-2
• SMILES: CC(C1CC3C(CC1)OCCOCCOC2CC(C(C)(C)C)CCC2OCCOCCO3)(C)C
• InChI: 1S/C28H52O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-29-12-16-32-24-10-8-22(28(4,5)6)20-26(24)34-18-14-30-11-15-31-23/h21-26H,7-20H2,1-6H3
• InChIKey: QQCYFUYEXBIXFJ-UHFFFAOYSA-N

Properties

• Density: 0.966g/cm³ (Cal.)
• Boiling point: 568.446°C at 760 mmHg (Cal.)
• Flash point: 212.519°C (Cal.)