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29471-17-8

29471-17-8 Structure

29471-17-8 Structure
IdentificationBack Directory
[Name]

4',4''(5'')-DI-TERT-BUTYLDIBENZO-18-CROWN-6
[CAS]

29471-17-8
[Synonyms]

14)-bis(1,1-dimethylethyl)-ro-13(or2
4,4'-Di-tert-butyldibenzo-18-crown-6
AR,AR'-DI-TERT-BUTYLDIBENZO-18-CROWN-6
4',4''(5'')-DI-TERT-BUTYLDIBENZO-18-CROWN-6
4',4pi(5pi)-Di-tert-butyldibenzo-18-crown-6
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6,94%
4',4''(5'')-Di-tert-butyldibenzo-18-crown-6 95%
4,45-Di-tert.-butylbenzo-18-crown-6, mixture of isomers
4',4''(5'')-di-tert-butyldibenzo-18-crown-6, mixed iso
4',4''(5'')-di-tert-butyldibenzo-18-crown-6, mixed isomers
[Molecular Formula]

C28H40O6
[MDL Number]

MFCD00068541
[MOL File]

29471-17-8.mol
[Molecular Weight]

472.61
Chemical PropertiesBack Directory
[Appearance]

Off-white powder
[Melting point ]

112-116 °C
[Boiling point ]

533.38°C (rough estimate)
[density ]

1.0542 (rough estimate)
[refractive index ]

1.6000 (estimate)
[BRN ]

1667522
[InChI]

InChI=1S/C28H40O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-30-14-18-34-26-20-22(28(4,5)6)8-10-24(26)32-16-12-29-11-15-31-23/h7-10,19-20H,11-18H2,1-6H3
[InChIKey]

CVQLBTRJDFZYMS-UHFFFAOYSA-N
[SMILES]

C12OCCOCCOC3=C(C=CC(C(C)(C)C)=C3)OCCOCCOC=1C=CC(C(C)(C)C)=C2
[EPA Substance Registry System]

Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 2,13(or 2,14)-bis(1,1-dimethylethyl)-6,7,9,10,17,18,20,21-octahydro- (29471-17-8)
Hazard InformationBack Directory
[Chemical Properties]

Off-white powder
[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..
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38-36/38-22
[Safety Statements ]

26-36-36/37
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

HP5386500
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29329990
Spectrum DetailBack Directory
[Spectrum Detail]

4',4''(5'')-DI-TERT-BUTYLDIBENZO-18-CROWN-6(29471-17-8)IR
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