4',4''(5'')-Di-tert-butyldibenzo-18-crown-6

Base Information

• Chemical Name: 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6
• CAS No.: 29471-17-8
• Molecular Formula: C28H40 O6
• Molecular Weight: 472.62
• Hs Code.: 2932.99
• European Community (EC) Number: 621-159-8
• Nikkaji Number: J2.018.690I
• Wikidata: Q106902743
• ChEMBL ID: CHEMBL1812798
• Mol file: 29471-17-8.mol

Synonyms:4',4''(5'')-Di-tert-butyldibenzo-18-crown-6;4,4''(5'')-Di-Tert-Butyldibenzo-18-crown-6;2,14-di-tert-butyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;CHEMBL1812798;SCHEMBL12533554;MFCD00068541;AKOS001586914;4,5'-Di-tert-butyldibenzo-18-crown-6;NCGC00325816-01;EU-0000241;AB01320564-02;AB01320564-03;SR-01000390243;J-017533;SR-01000390243-1;4 inverted exclamation mark(R),4 inverted exclamation mark degrees (5 inverted exclamation mark+/-)-Di-tert-butyldicyclohexano-18-crown-6;47750-07-2

Chemical Property of 4',4''(5'')-Di-tert-butyldibenzo-18-crown-6

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 110 -112 C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 533.38°C (rough estimate)
• Flash Point: 216.5oC
• PSA: 55.38000
• Density: 1.0542 (rough estimate)
• LogP: 5.54380
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 472.28248899
• Heavy Atom Count: 34
• Complexity: 520

Purity/Quality:

98%,99%, ^*data from raw suppliers

4'',4''''(5'''')-Di-tert-butyldibenzo-18-crown-6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: Xi
• Statements: 36/37/38-36/38-22
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C(C=C(C=C3)C(C)(C)C)OCCOCCO2
• Description: 4′,4″(5″)-Di-tert-butyldibenzo-18-crown-6 is a hydrophobic crown ether compound. This crown ether is potentially useful in studies of ion transport through non-polar regions and membranes, and has been described in the design of microsensor devices for ammonia determination based upon ammonia-mediated deprotonation of a pH indicator followed by sequestering of ammonium within the 4′,4″(5″)-Di-tert-butyldibenzo-18-crown-6 sphere.
• Uses: 4'',4''''(5'''')-Di-tert-butyldibenzo-18-crown-6 is a hydrophobic crown ether compound..