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Substance Name: 1-Phenylcyclohex-1-ene
RN: 771-98-2
UNII: PM437BQ1OF
InChIKey: WCMSFBRREKZZFL-UHFFFAOYSA-N

Molecular Formula

  • C12-H14

Molecular Weight

  • 158.243
 
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Names and Synonyms

Name of Substance

  • 1-Phenylcyclohex-1-ene

Synonyms

  • 1-Phenyl-1-cyclohexene
  • 1-Phenylcyclohexene
  • 4-05-00-01557 (Beilstein Handbook Reference)
  • AI3-02304
  • BRN 1905772
  • EINECS 212-242-6
  • NSC 403862
  • NSC 44834
  • UNII-PM437BQ1OF

Systematic Names

  • Benzene, 1-cyclohexen-1-yl-
  • Benzene, 1-cyclohexen-1-yl- (8CI)(9CI)
  • Cyclohexen-1-ylbenzene
  • Cyclohexene, 1-phenyl-

Registry Numbers

CAS Registry Number

  • 771-98-2

FDA UNII

  • PM437BQ1OF

System Generated Number

  • 0000771982

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

c1(C=2CCCCC2)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3482mg/kg (3482mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: COMA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toxicology and Applied Pharmacology. Vol. 76, Pg. 403, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.10E+01 deg C   EXP
Boiling Point 252 deg C   EXP
log P (octanol-water) 4.720 (none)   EST
Atmospheric OH Rate Constant 9.39E-11 cm3/molecule-sec 25 EST

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