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7-Oxabicyclo[4.1.0]heptane,3-(2-oxiranyl)- (106-87-6)

Identification
Name:7-Oxabicyclo[4.1.0]heptane,3-(2-oxiranyl)-
Synonyms:1-(Epoxyethyl)-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;4-(1,2-Epoxyethyl)-1,2-epoxycyclohexane;4-Vinyl-1,2-cyclohexene diepoxide;4-Vinyl-1-cyclohexenediepoxide;4-Vinyl-1-cyclohexene dioxide;4-Vinylcyclohexene diepoxide;4-Vinylcyclohexene dioxide;Chissonox 206 monomer;Diluent 6206;NSC 54752;NSC61281;NSC 7583;Vinylcyclohexene diepoxide;7-Oxabicyclo[4.1.0]heptane,3-(epoxyethyl)- (6CI,8CI);7-Oxabicyclo[4.1.0]heptane, 3-oxiranyl- (9CI);1,2-Epoxy-4-(epoxyethyl)cyclohexane;
CAS:106-87-6
EINECS: 203-437-7
Molecular Formula: C8H12O2
Molecular Weight: 140.17968
InChI: InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2
Molecular Structure: (C8H12O2) 1-(Epoxyethyl)-3,4-epoxycyclohexane;1-Vinyl-3-cyclohexene dioxide;3-(1,2-Epoxyethyl)-7-oxabicyclo[4....
Properties
Transport:UN 2810 6.1/PG 3
Melting Point: -109 C
Flash Point: 86.4°C
Boiling Point: 227°Cat760mmHg
Density:1.227g/cm3
Stability:Stable. Combustible. Incompatible with strong oxidizing agents, alcohols, amines and other compounds containg an active hydrogen. Hydrolyzes slowly in water.
Refractive index:n20/D 1.477(lit.)
Water Solubility:moderate
Solubility:moderate
Appearance:colourless liquid
Specification:

The Vinyl cyclohexene dioxide , with cas registry number of 106-87-6, is also called 4-Vinylcyclohexene dioxide ; 4-Vinyl-1-cyclohexene diepoxide ; 3-(Oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane . Its IUPAC name is 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane . And the systematic name is named as 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane . Vinyl cyclohexene dioxide is incompatible with strong oxidizing agents, alcohols, amines and other compounds containg an active hydrogen. It hydrolyzes slowly in water.

Physical properties of Vinyl cyclohexene dioxide : (1) H bond acceptors: 2; (2) H bond donors: 0; (3) Freely Rotating Bonds: 1; (4) Index of Refraction: 1.546; (5) Molar Refractivity: 36.2 cm3; (6) Molar Volume: 114.1 cm3; (7) Surface Tension: 50.5 dyne/cm; (8) Enthalpy of Vaporization: 44.47 kJ/mol; (9) Vapour Pressure: 0.119 mmHg at 25°C; (10) Refractive index: n20/D 1.477(lit.).

Uses of Vinyl cyclohexene dioxide : This compound is used as a chemical intermediate. It is also used in the preparation of polyethylene glycol monomer that contains no active epoxy group.

When you are using this chemical, please be cautious about it as the following:
The Vinyl cyclohexene dioxide is harmful and toxic by inhalation, in contact with skin and if swallowed. When use it, avoid contact with skin and eyes and do not breathe vapour. It also has the possible risk of irreversible effects.

You can still convert the following datas into molecular structure:
(1) SMILES:O3C(C1CC2OC2CC1)C3;
(2) InChI:InChI=1/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2;
(3) InChIKey:OECTYKWYRCHAKR-UHFFFAOYAP

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo skin 3216mg/kg (3216mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

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

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 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.

Report:

The Vinyl cyclohexene dioxide , with cas registry number of 106-87-6, is also called 4-Vinylcyclohexene dioxide ; 4-Vinyl-1-cyclohexene diepoxide ; 3-(Oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane . Its IUPAC name is 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane . And the systematic name is named as 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane . Vinyl cyclohexene dioxide is incompatible with strong oxidizing agents, alcohols, amines and other compounds containg an active hydrogen. It hydrolyzes slowly in water.

Physical properties of Vinyl cyclohexene dioxide : (1) H bond acceptors: 2; (2) H bond donors: 0; (3) Freely Rotating Bonds: 1; (4) Index of Refraction: 1.546; (5) Molar Refractivity: 36.2 cm3; (6) Molar Volume: 114.1 cm3; (7) Surface Tension: 50.5 dyne/cm; (8) Enthalpy of Vaporization: 44.47 kJ/mol; (9) Vapour Pressure: 0.119 mmHg at 25°C; (10) Refractive index: n20/D 1.477(lit.).

Uses of Vinyl cyclohexene dioxide : This compound is used as a chemical intermediate. It is also used in the preparation of polyethylene glycol monomer that contains no active epoxy group.

When you are using this chemical, please be cautious about it as the following:
The Vinyl cyclohexene dioxide is harmful and toxic by inhalation, in contact with skin and if swallowed. When use it, avoid contact with skin and eyes and do not breathe vapour. It also has the possible risk of irreversible effects.

You can still convert the following datas into molecular structure:
(1) SMILES:O3C(C1CC2OC2CC1)C3;
(2) InChI:InChI=1/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2;
(3) InChIKey:OECTYKWYRCHAKR-UHFFFAOYAP

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo skin 3216mg/kg (3216mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

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

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 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.

Packinggroup: III
Flash Point: 86.4°C
Color: COLORLESS LIQUID
Colorless liquid.
Safety Data
 

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