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Substance Name: Benzene, cyclohexenyl-
RN: 31017-40-0
InChIKey: WCMSFBRREKZZFL-UHFFFAOYSA-N

Molecular Formula

  • C12-H14

Molecular Weight

  • 158.243
 
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Names and Synonyms

Synonyms

  • Cyclohexenylbenzene
  • Phenylcyclohexene

Systematic Name

  • Benzene, cyclohexenyl-

Registry Numbers

CAS Registry Number

  • 31017-40-0

System Generated Number

  • 0031017400

Structure Descriptors

InChI

1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2

InChIKey

WCMSFBRREKZZFL-UHFFFAOYSA-N

Smiles

c1ccccc1C1=CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 5gm/kg (5000mg/kg)   "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 55, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.53 (none)   EXP
Water Solubility 9.430 mg/L 25 EST
Vapor Pressure 0.038 mm Hg 25 EST
Henry's Law Constant 5.27E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.39E-11 cm3/molecule-sec 25 EST

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