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

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Names

[ CAS No. ]:
29471-17-8

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

[Synonym ]:
4,4'-Di-tert-butyldibenzo-18-crown-6
AR,AR'-DI-TERT-BUTYLDIBENZO-18-CROWN-6
MFCD00068541
4,45-Di-tert.-butylbenzo-18-crown-6,mixture of isomers

Chemical & Physical Properties

[ Density]:
1.03g/cm3

[ Boiling Point ]:
567.2ºC at 760 mmHg

[ Melting Point ]:
112-116ºC

[ Molecular Formula ]:
C24H40O6

[ Molecular Weight ]:
424.57

[ Flash Point ]:
216.5ºC

[ Exact Mass ]:
472.28200

[ PSA ]:
55.38000

[ LogP ]:
5.54380

[ Vapour Pressure ]:
2.7E-12mmHg at 25°C

[ Index of Refraction ]:
1.489

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HP5386500
CHEMICAL NAME :
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro- 2,13(or 2,14)-bis(1,1-dimethylethyl)-
CAS REGISTRY NUMBER :
29471-17-8
LAST UPDATED :
199109
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C28-H40-O6
MOLECULAR WEIGHT :
472.68

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
35 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,402,1989

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
UN 2811

[ WGK Germany ]:
3

[ RTECS ]:
HP5386500

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

Related Compounds

  • 4',4''(5'')-Bis(diphenylbenzylphosphonium)dibenzo-18-crown-6 diiodide
  • 4',4''(5'')-Bis(diphenylbenzylphosphonium)dibenzo-18-crown-6 dibromide
  • 4',4''(5'')-DIPROPIONYLDIBENZO-18-CROWN-6
  • 4',4''(5'')-DIBUTYRYLDIBENZO-18-CROWN-6
  • 4,4''(5'')-DI(1-HYDROXYETHYL)DIBENZO-18-CROWN-6
  • 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide
  • Ethyl 2-(2-ethoxy-2-oxoethyl)-6-methoxybenzoate
  • 1-(3-hydroxypropyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
  • 1-Hexyl-5-propyl-1h-1,2,3-triazole-4-carboxylic acid
  • 5-((Azetidin-3-yloxy)methyl)-4-chloro-1-ethyl-3-methyl-1h-pyrazole
  • 5-((Azetidin-3-yloxy)methyl)-4-bromo-1-ethyl-3-methyl-1h-pyrazole
  • 5-Cyclopropyl-1-(3-hydroxypropyl)-1h-1,2,3-triazole-4-carboxylic acid
  • 1-Cyclohexyl-5-cyclopropyl-1h-1,2,3-triazole-4-carboxylic acid
  • 1-(butan-2-yl)-5-cyclopropyl-1H-1,2,3-triazole-4-carboxylic acid
  • [1-(4-fluoro-2-methylphenyl)-1H-1,2,3-triazol-4-yl]methanamine
  • [1-(2,5-dimethylphenyl)-1H-1,2,3-triazol-4-yl]methanamine
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