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Substance Name: 1,4,7,10-Tetraoxacyclododecane
RN: 294-93-9
UNII: K6069P2C2A
InChIKey: XQQZRZQVBFHBHL-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C8-H16-O4

Molecular Weight

  • 176.21
 
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Names and Synonyms

Name of Substance

  • 1,4,7,10-Tetraoxacyclododecane

Synonyms

  • 12-Crown-4
  • 5-19-11-00334 (Beilstein Handbook Reference)
  • BRN 1363064
  • CCRIS 157
  • EINECS 206-036-5
  • EOCT
  • Ethylene oxide cyclic tetramer
  • UNII-K6069P2C2A

Systematic Names

  • 1,4,7,10-Tetraoxacyclododecane
  • 12-Crown-4

Registry Numbers

CAS Registry Number

  • 294-93-9

FDA UNII

  • K6069P2C2A

Other Registry Numbers

  • 168081-54-7
  • 64491-37-8

System Generated Number

  • 0000294939

Structure Descriptors

InChI

1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2

InChIKey

XQQZRZQVBFHBHL-UHFFFAOYSA-N

Smiles

C1COCCOCCOCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1290mg/kg (1290mg/kg)   Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
mouse LD50 intraperitoneal 1290mg/kg (1290mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
mouse LD50 oral 3150mg/kg (3150mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR
Toxicology and Applied Pharmacology. Vol. 44, Pg. 263, 1978.
rabbit LD50 skin 4530uL/kg (4.53mL/kg) BEHAVIORAL: ATAXIA

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0536186,
rat LC50 inhalation 27ppm/4H (27ppm)   National Technical Information Service. Vol. OTS0536186-1,
rat LC50 inhalation 27ppm/4H (27ppm) LIVER: OTHER CHANGES

PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE
National Technical Information Service. Vol. OTS0536186-1,
rat LD50 intraperitoneal 1550mg/kg (1550mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Drug and Chemical Toxicology. Vol. 8, Pg. 451, 1985.
rat LD50 oral 2830mg/kg (2830mg/kg) BEHAVIORAL: TREMOR Drug and Chemical Toxicology. Vol. 1, Pg. 339, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 16 deg C   EXP
log P (octanol-water) -0.04 (none)   EXP
Water Solubility 6.21E+04 mg/L 25 EST
Vapor Pressure 0.045 mm Hg 25 EST
Henry's Law Constant 1.43E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.61E-11 cm3/molecule-sec 25 EST

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