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Substance Name: 15-Crown-5
RN: 33100-27-5
InChIKey: VFTFKUDGYRBSAL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C10-H20-O5

Molecular Weight

  • 220.263
 
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Names and Synonyms

Name of Substance

  • 15-Crown-5

Synonyms

  • 1,4,7,10,13-Pentaoxacyclopentadecane
  • 15-Crown-5
  • 5-19-12-00252 (Beilstein Handbook Reference)
  • BRN 1618144
  • CCRIS 3586
  • EINECS 251-379-6

Systematic Names

  • 1,4,10,13-Pentaoxacyclopentadecane
  • 1,4,7,10,13-Pentaoxacyclopentadecane
  • 15-Crown-5

Registry Numbers

CAS Registry Number

  • 33100-27-5

Other Registry Number

  • 168081-57-0

System Generated Number

  • 0033100275

Structure Descriptors

InChI

1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2

InChIKey

VFTFKUDGYRBSAL-UHFFFAOYSA-N

Smiles

C1COCCOCCOCCOCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 514mg/kg (514mg/kg)   Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
mouse LD50 intraperitoneal 514mg/kg (514mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
mouse LD50 oral 1020mg/kg (1020mg/kg) BEHAVIORAL: TREMOR Toxicology and Applied Pharmacology. Vol. 44, Pg. 263, 1978.
rabbit LD50 intraperitoneal 560mg/kg (560mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(2), Pg. 48, 1987.
rabbit LD50 skin 2520mg/kg (2520mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
rat LD50 intraperitoneal 530mg/kg (530mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
rat LD50 oral 1410mg/kg (1410mg/kg) BEHAVIORAL: TREMOR Drug and Chemical Toxicology. Vol. 1, Pg. 339, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.48 (none)   EXP
Water Solubility 8.82E+04 mg/L 25 EST
Vapor Pressure 1.44E-03 mm Hg 25 EST
Henry's Law Constant 2.22E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.01E-11 cm3/molecule-sec 25 EST

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