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Substance Name: Bicyclo(2.2.2)octane
RN: 280-33-1
InChIKey: GPRLTFBKWDERLU-UHFFFAOYSA-N

Molecular Formula

  • C8-H14

Molecular Weight

  • 110.199
 
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Names and Synonyms

Synonym

  • 1,4-Endoethylenecyclohexane

Systematic Name

  • Bicyclo(2.2.2)octane

Registry Numbers

CAS Registry Number

  • 280-33-1

System Generated Number

  • 0000280331

Structure Descriptors

InChI

1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2

InChIKey

GPRLTFBKWDERLU-UHFFFAOYSA-N

Smiles

C12CCC(CC1)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Toxicology and Applied Pharmacology. Vol. 36, Pg. 261, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.560 (none)   EST
Water Solubility 29 mg/L 25 EST
Vapor Pressure 3.34 mm Hg 25 EXP
Henry's Law Constant 0.198 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.47E-11 cm3/molecule-sec 25 EXP

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