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Substance Name: Vinyl cyclohexene dioxide
RN: 106-87-6
UNII: 596C064IG4
InChIKey: OECTYKWYRCHAKR-UHFFFAOYSA-N

Note

  • Activates caspase cascades.

Molecular Formula

  • C8-H12-O2

Molecular Weight

  • 140.181
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • TWA (0.1 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans

Names and Synonyms

Results Name

  • Vinyl cyclohexene dioxide

Name of Substance

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

Synonyms

  • 1,2-Epoxy-4-(epoxyethyl)cyclohexane
  • 1-Epoxyethyl-3,4-epoxycyclohexane
  • 1-Ethyleneoxy-3,4-epoxycyclohexane
  • 1-Vinyl-3-cyclohexene dioxide
  • 3-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane
  • 3-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane
  • 3-Oxiranyl-7-oxabicyclo(4.1.0)heptane
  • 4-(1,2-Epoxyethyl)-7-oxabicyclo(4.1.0)heptane
  • 4-(Epoxyethyl)-7-oxabicyclo(4.1.0)heptane
  • 4-Vinlycyclohexene dioxide
  • 4-Vinyl-1,2-cyclohexene diepoxide
  • 4-Vinyl-1-cyclohexene diepoxide
  • 4-Vinyl-1-cyclohexene dioxide
  • 4-Vinylcyclohexene diepoxide
  • 4-Vinylcyclohexene dioxide
  • 5-19-01-00295 (Beilstein Handbook Reference)
  • 7-Oxabicyclo(4.1.0)heptane, 3-(epoxyethyl)-
  • 7-Oxabicyclo(4.1.0)heptane, 3-oxiranyl-
  • AI3-26353
  • BRN 0106071
  • CCRIS 278
  • Chissonox 206 monomer
  • Cyclohexane, 1,2-epoxy-4-(epoxyethyl)-
  • EINECS 203-437-7
  • HSDB 4332
  • NCI-C60135
  • NCI-C60139
  • NSC 54752
  • RD4
  • UCET textile finish 11-74 (Obs.)
  • UNII-596C064IG4
  • Vinyl cyclohexene diepoxide
  • Vinylcyclohexene dioxide

Systematic Names

  • 1-Epoxyethyl-3,4-epoxycyclohexane
  • 3-Oxiranyl- 7-oxabicyclo(4.1.0)heptane
  • 7-Oxa-3-oxiranylbicyclo(4.1.0)heptane
  • 7-Oxabicyclo(4.1.0)heptane, 3-(2-oxiranyl)-
  • 7-Oxabicyclo(4.1.0)heptane, 3-(epoxyethyl)-
  • 7-Oxabicyclo(4.1.0)heptane, 3-oxiranyl-

Superlist Names

  • 4-Vinyl-1-cyclohexene diepoxide
  • 4-Vinylcyclohexene diepoxide
  • 7-Oxabicyclo(4.1.0)heptane, 3-oxiranyl-
  • Vinyl cyclohexene dioxide

Registry Numbers

CAS Registry Number

  • 106-87-6

FDA UNII

  • 596C064IG4

Other Registry Number

  • 25550-49-6

System Generated Number

  • 0000106876

Structure Descriptors

InChI

1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2

InChIKey

OECTYKWYRCHAKR-UHFFFAOYSA-N

Smiles

O1[C@@H]2[C@@H]1CC[C@@H](C2)[C@@H]1CO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo skin 3216mg/kg (3216mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

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

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Toxicology Program Technical Report Series. Vol. NTP-TR-362, Pg. 1989,
rabbit LD50 skin 620uL/kg (0.62mL/kg)   Union Carbide Data Sheet. Vol. 9/19/1972,
rabbit LD50 unreported 680ug/kg (0.68mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 56, Pg. 1803, 1980.
rat LC50 inhalation 800ppm/4H (800ppm)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 9, 1961.
rat LD50 oral 2130mg/kg (2130mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 9, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.50E+01 deg C   EXP
Boiling Point 227 deg C   EXP
log P (octanol-water) 0.44 (none)   EXP
Water Solubility 3.52E+04 mg/L 25 EST
Vapor Pressure 1.170 mm Hg 25 EST
Henry's Law Constant 1.42E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.06E-12 cm3/molecule-sec 25 EST

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