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Substance Name: 18-Crown-6
RN: 17455-13-9
UNII: 63J177NC5B
InChIKey: XEZNGIUYQVAUSS-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C12-H24-O6

Molecular Weight

  • 264.316
 
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Names and Synonyms

Name of Substance

  • 18-Crown-6

Synonyms

  • 1,4,7,10,13,16-Hexanoxacyclooctadecane
  • 1,4,7,10,13,16-Hexaoxacyclooctadecane
  • 18-Crown-6
  • 5-19-12-00601 (Beilstein Handbook Reference)
  • BRN 1619616
  • CCRIS 3587
  • EINECS 241-473-5
  • Ethylene oxide cyclic hexamer
  • NSC 159836
  • UNII-63J177NC5B

Systematic Names

  • 1,4,7,10,13,16-Hexanoxacyclooctadecane
  • 1,4,7,10,13,16-Hexaoxacyclooctadecane
  • 18-Crown-6

Registry Numbers

CAS Registry Number

  • 17455-13-9

FDA UNII

  • 63J177NC5B

Other Registry Numbers

  • 134316-24-8
  • 168081-58-1
  • 63172-42-9
  • 65154-22-5
  • 66037-87-4
  • 71210-94-1
  • 71211-03-5
  • 71245-01-7
  • 71251-38-2
  • 71251-39-3
  • 71251-42-8

System Generated Number

  • 0017455139

Structure Descriptors

InChI

1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2

InChIKey

XEZNGIUYQVAUSS-UHFFFAOYSA-N

Smiles

C1COCCOCCOCCOCCOCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 59mg/kg (59mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 92, 1988.
mouse LD50 intraperitoneal 464mg/kg (464mg/kg)   Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
mouse LD50 intraperitoneal 464mg/kg (464mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
mouse LD50 intravenous > 1gm/kg (1000mg/kg)   Russian Pharmacology and Toxicology Vol. 47, Pg. 167, 1984.
mouse LD50 oral 540mg/kg (540mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 92, 1988.
rabbit LD50 skin 3888mg/kg (3888mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0571014,
rat LD50 intraperitoneal 830mg/kg (830mg/kg)   Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
rat LD50 intraperitoneal 830mg/kg (830mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
rat LD50 intratracheal 56mg/kg (56mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI
National Technical Information Service. Vol. OTS0536187,
rat LD50 oral 525mg/kg (525mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 92, 1988.
rat LDLo skin 7gm/kg (7000mg/kg)   National Technical Information Service. Vol. OTS0540542,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.68 (none)   EXP
Water Solubility 7.49E+04 mg/L 25 EST
Vapor Pressure 6.67E-05 mm Hg 25 EST
Henry's Law Constant 3.45E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.41E-11 cm3/molecule-sec 25 EST

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