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Substance Name: 4-Vinyl-1-cyclohexene
RN: 100-40-3
UNII: 212JQJ15PS
InChIKey: BBDKZWKEPDTENS-UHFFFAOYSA-N

Molecular Formula

  • C8-H12

Molecular Weight

  • 108.183
 

Classification Codes

Classification Codes

  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • TWA (0.1 ppm); Confirmed animal carcinogen with unknown relevance to humans
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Names and Synonyms

Name of Substance

  • 4-Vinyl-1-cyclohexene
  • 4-Vinylcyclohexene

Synonyms

  • 1,2,3,4-Tetrahydrostyrene
  • 1-Cyclohexene, 4-vinyl-
  • 1-Vinylcyclohexene-3
  • 4-05-00-00406 (Beilstein Handbook Reference)
  • 4-Ethenyl-1-cyclohexene
  • 4-Ethenylcyclohexene
  • 4-Vinylcyclohexene
  • 4-Vinylcyclohexene-1
  • AI3-08499
  • BRN 1901553
  • Butadiene dimer
  • CCRIS 1422
  • Cyclohexenylethylene
  • EC 202-848-9
  • EINECS 202-848-9
  • Ethenyl-1-cyclohexene
  • HSDB 2872
  • NCI-C54999
  • NSC 15760
  • UNII-212JQJ15PS
  • Vinylcyclohexene

Systematic Names

  • 1-Cyclohexene, 4-vinyl-
  • 4-Ethenylcyclohexene
  • 4-Vinylcyclohexene
  • Cyclohexene, 4-ethenyl-
  • Cyclohexene, 4-vinyl- (8CI)

Superlist Names

  • 4-Vinyl cyclohexene
  • 4-Vinylcyclohexene
  • Cyclohexene, 4-ethenyl-
  • Cyclohexene, 4-vinyl-
  • Vinylcyclohexene, 4-

Registry Numbers

CAS Registry Number

  • 100-40-3

FDA UNII

  • 212JQJ15PS

Other Registry Number

  • 92619-43-7

System Generated Number

  • 0000100403

Structure Descriptors

InChI

1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2

InChIKey

BBDKZWKEPDTENS-UHFFFAOYSA-N

Smiles

C1[C@@H](CC=CC1)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 27gm/m3 (27000mg/m3)   IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 11, Pg. 279, 1976.
rabbit LD50 skin 20mL/kg (20mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 8000ppm/4H (8000ppm)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 3080uL/kg (3.08mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.09E+02 deg C   EXP
Boiling Point 128 deg C   EXP
log P (octanol-water) 3.93 (none)   EXP
Water Solubility 50 mg/L 25 EXP
Vapor Pressure 15.7 mm Hg 25 EXP
Henry's Law Constant 0.045 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.93E-11 cm3/molecule-sec 25 EST

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