4,4'(5')-Di-T-Butyldicyclo-hexano-18-crown-6

Base Information

• Chemical Name: 4,4'(5')-Di-T-Butyldicyclo-hexano-18-crown-6
• CAS No.: 223719-29-7
• Deprecated CAS: 28801-57-2,1266715-67-6
• Molecular Formula: C28H52 O6
• Molecular Weight: 484.70888
• European Community (EC) Number: 627-914-8,685-841-7
• DSSTox Substance ID: DTXSID60951443
• Nikkaji Number: J1.385.567F
• ChEMBL ID: CHEMBL1812797
• Mol file: 223719-29-7.mol

Synonyms:223719-29-7;4,4'(5')-Di-T-Butyldicyclo-hexano-18-crown-6;38723-98-7;4',4''(5'')-Di-tert-butyldicyclohexano-18-crown-6;11,24-ditert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane;2,13-di-tert-butylicosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;CHEMBL1812797;SCHEMBL14156074;DTXSID60951443;Eicosahydro-2,?-bis(1,1-dimethylethyl)dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin;LS-61116;FT-0616959;4',4(5)-Di-tert-butyldicyclohexano-18-crown-6;4,4'(5')-di-tert-Butyldicyclohexyl-18-crown-6;SR-01000389382;Bis-4,4'(5')-[tert-butylcyclohexano]-18-crown-6;J-017268;SR-01000389382-1;Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, eicosahydro-2,?-bis(1,1-dimethylethyl)-

Chemical Property of 4,4'(5')-Di-T-Butyldicyclo-hexano-18-crown-6

Chemical Property:

• Refractive Index: n20/D1.485
• Boiling Point: 190-195°C/0.05 mmHg(lit.)
• PSA: 55.38000
• LogP: 6.04660
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 484.37638937
• Heavy Atom Count: 34
• Complexity: 518

Purity/Quality:

97% ^*data from raw suppliers

4′,4?″(5?″)-Di-tert-butyldicyclohexano-18-crown-6 technical, mixture of isomers, ≥90.0% (GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3626927
• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1CCC2C(C1)OCCOCCOC3CCC(CC3OCCOCCO2)C(C)(C)C
• Uses: 4,4’,(5’)-Di-(tert-butylcyclohexano)-18-crown-6 is a crown ether-based sorbent used in the analysis and separation of minerals.