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CAS No.: | 286-20-4 |
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Name: | Cyclohexene oxide |
Article Data: | 749 |
Molecular Structure: | |
Formula: | C6H10O |
Molecular Weight: | 98.1448 |
Synonyms: | 1,2-Cyclohexeneoxide;1,2-Epoxycyclohexane;2,3-Tetramethyleneoxirane;Cyclohexane,1,2-epoxy-;Cyclohexene epoxide;Cyclohexylene oxide;NSC128074;NSC 5218;Tetramethyleneoxirane; |
EINECS: | 206-007-7 |
Density: | 0.97 g/cm3 |
Melting Point: | -40 °C |
Boiling Point: | 130.3 °C at 760 mmHg |
Flash Point: | 27.2 °C |
Solubility: | Insoluble in water, soluble in alcohol, acetone, ether |
Appearance: | clear colorless to yellow liquid |
Hazard Symbols: | C |
Risk Codes: | 10-20/21/22-34 |
Safety: | 26-36/37/39-45-16 |
Transport Information: | UN 2924 3/PG 3 |
PSA: | 12.53000 |
LogP: | 1.32780 |
The Cyclohexene oxide with CAS registry number of 286-20-4 is also known as Cyclohexane,1,2-epoxy-. The IUPAC name is 7-Oxabicyclo[4.1.0]heptane. It belongs to product categories of Pharmaceutical Intermediates; Alcohol& Phenol& Ethers. Its EINECS registry number is 206-007-7. In addition, the formula is C6H10O and the molecular weight is 98.14. This chemical is a clear colorless to yellow liquid.
Physical properties about Cyclohexene oxide are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.18; (5)ACD/BCF (pH 7.4): 5.18; (6)ACD/KOC (pH 5.5): 112.91; (7)ACD/KOC (pH 7.4): 112.91; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.479; (10)Molar Refractivity: 27.32 cm3; (11)Molar Volume: 96.2 cm3; (12)Surface Tension: 34.6 dyne/cm; (13)Density: 1.019 g/cm3; (14)Flash Point: 27.2 °C; (15)Enthalpy of Vaporization: 35.27 kJ/mol; (16)Boiling Point: 130.3 °C at 760 mmHg; (17)Vapour Pressure: 12 mmHg at 25 °C.
Preparation of Cyclohexene oxide: it is prepared by reaction of propanol, cyclohexene, dihydroxy-trimethyl antimony, hexacarbonyl tungsten and hydrogen peroxide. This reaction occurs at the temperature of 60 °C for 3 hours. The yield is about 92.5%.
Uses of Cyclohexene oxide: it is used to synthesize pesticide intermediate or surfactant. Besides, it is used to produce trans-2-pyrrolidino-cyclohexanol by reaction with pyrrolidine. The reaction occurs with reagent H2O at 70-90 °C for 28 hours. The yield is about 80%.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. It's also flammable and may causes burns. During using it, wear suitable protective clothing, gloves and eye/face protection. What's more, keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC2C(C1)O2
2. InChI: InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2
3. InChIKey: ZWAJLVLEBYIOTI-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intramuscular | 1gm/kg (1000mg/kg) | Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962. | |
rabbit | LD50 | skin | 630uL/kg (0.63mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
rat | LCLo | inhalation | 2000ppm/4H (2000ppm) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
rat | LD50 | intraperitoneal | 549mg/kg (549mg/kg) | BEHAVIORAL: TREMOR | Toxicology and Applied Pharmacology. Vol. 52, Pg. 422, 1980. |
rat | LD50 | oral | 1090uL/kg (1.09mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. |