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Substance Name: Dibenzo-18-crown-6
RN: 14187-32-7
UNII: 0A7W45JCS9
InChIKey: YSSSPARMOAYJTE-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C20-H24-O6

Molecular Weight

  • 360.404
 
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Names and Synonyms

Name of Substance

  • Dibenzo-18-crown-6

Synonyms

  • 2,3:11,12-Dibenzo-1,4,7,10,13,16-hexaoxacyclooctadecane
  • 6,7,9,10,17,18,20,21-Octahydrodibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin
  • BRN 1162153
  • Crown 18
  • Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecane
  • Dibenzo-18-crown-6
  • Dibenzo-18-crown-6-ether
  • Dicyclohexano-18-crown-6
  • EINECS 238-041-3
  • NSC 147771
  • UNII-0A7W45JCS9

Systematic Names

  • Dibenzo(a,j)-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene
  • Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-

Registry Numbers

CAS Registry Number

  • 14187-32-7

FDA UNII

  • 0A7W45JCS9

Other Registry Numbers

  • 54765-16-1
  • 63172-39-4
  • 66105-26-8
  • 73128-69-5

System Generated Number

  • 0014187327

Structure Descriptors

InChI

1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2

InChIKey

YSSSPARMOAYJTE-UHFFFAOYSA-N

Smiles

c12c(cccc1)OCCOCCOc1ccccc1OCCOCCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 430mg/kg (430mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(2), Pg. 48, 1987.
mouse LD50 oral 4500mg/kg (4500mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(11), Pg. 72, 1987.
rabbit LD50 intraperitoneal 430mg/kg (430mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(2), Pg. 48, 1987.
rat LD50 intraperitoneal 560mg/kg (560mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(2), Pg. 48, 1987.
rat LD50 oral 2600mg/kg (2600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 162-164 deg C   EXP
log P (octanol-water) 2.2 (none)   EXP
Water Solubility 7.3 mg/L 25 EXP
Vapor Pressure 3.97E-09 mm Hg 25 EST
Henry's Law Constant 6.82E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.33E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.