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CAS No.: | 292-64-8 |
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Name: | Cyclooctane |
Article Data: | 316 |
Molecular Structure: | |
Formula: | C8H16 |
Molecular Weight: | 112.215 |
Synonyms: | Cyclooctan;Octamethylene; |
EINECS: | 206-031-8 |
Density: | 0.791 g/cm3 |
Melting Point: | 10-13 °C(lit.) |
Boiling Point: | 152.005 °C at 760 mmHg |
Flash Point: | 30 °C |
Solubility: | Not miscible or difficult to mix in water. |
Appearance: | Clear colorless liquid |
Hazard Symbols: | R10:Flammable.; R65:Harmful: may cause lung damage if swallowed.; |
Risk Codes: | 10 |
Safety: | 16-29-33 |
Transport Information: | UN 3295 3/PG 3 |
PSA: | 0.00000 |
LogP: | 3.12080 |
The IUPAC name of this chemical is Cyclooctane. With the CAS registry number 292-64-8 and EINECS registry number 206-031-8, it is also named as Octamethylene. In addition, the molecular formula is C8H16 and the molecular weight is 112.21. It is a kind of clear colorless liquid and belongs to the classes of Pharmaceutical Intermediates; Alkanes; Cyclic; Organic Building Blocks; Alpha Sort; C; Calphabetic; CO - CZ Chemical Class; Hydrocarbons; Neats; Volatiles/Semivolatiles. And it is a simple colourless hydrocarbon, but it is often a reference compound for saturated eight-membered ring compounds in general.
Physical properties about this chemical are: (1) ACD/LogP: 4.22; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.217; (4) ACD/LogD (pH 7.4): 4.217; (5) ACD/BCF (pH 5.5): 943.425; (6) ACD/BCF (pH 7.4): 943.425; (7) ACD/KOC (pH 5.5): 4687.009; (8) ACD/KOC (pH 7.4): 4687.009; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.433; (14) Molar Refractivity: 36.894 cm3; (15) Molar Volume: 141.931 cm3; (16) Polarizability: 14.626×10-24 cm3; (17) Surface Tension: 25.948 dyne/cm; (18) Density: 0.791 g/cm3; (19) Flash Point: 30 °C; (20) Enthalpy of Vaporization: 37.282 kJ/mol; (21) Boiling Point: 152.005 °C at 760 mmHg; (22) Vapour Pressure: 4.56 mmHg at 25 °C.
Preparation of Cyclooctane: this chemical is prepared by cycloocta-1c,5c-diene. The other product is (Z)-cyclooctene. This reaction needs reagent H2, catalyst Pd(II) complex containing tridentate hydrazonic ligands and solvent tetrahydrofuran. The reaction time is 24 hours at temperature of 40 °C. The yield is 90 %.
Use of Cyclooctane: it can be used as solvent, reagents and synthetic organic intermediates. And it can be used to produce Cyclooctanone. This reaction will need reagent O3, catalyst Li12 and solvents H2O and 2-methyl-propan-2-ol. The reaction time is 45 hours at reaction temperature of 2 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. You should keep it away from sources of ignition and no smoking. In addition, do not empty into drains. Whatever, you should take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CCCCCCC1
(2) InChI: InChI=1/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
(3) InChIKey: WJTCGQSWYFHTAC-UHFFFAOYAO