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| CAS No.: | 931-56-6 |
|---|---|
| Name: | Cyclohexyl methyl ether |
| Article Data: | 144 |
| Molecular Structure: | |
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| Formula: | C7H14O |
| Molecular Weight: | 114.188 |
| Synonyms: | Anisole,hexahydro- (3CI);Ether, cyclohexyl methyl (6CI,7CI,8CI);1-Methoxycyclohexane;Cyclohexyl methyl ether;Methoxycyclohexane;Methyl cyclohexyl ether; |
| Density: | 0.86g/cm3 |
| Melting Point: | -74°C(lit.) |
| Boiling Point: | 133 °C at 760 mmHg |
| Flash Point: | 20.7 °C |
| PSA: | 9.23000 |
| LogP: | 1.96550 |
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- Total:14 Page 1 of 1 1
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Specification
The Cyclohexyl methyl ether, with CAS registry number 931-56-6, has the systematic name of cyclohexyl methyl ether. Besides this, it is also called Cyclohexanol, o-methyl-. And the chemical formula of this chemical is C7H14O. And its system generated number is 0000931566.
Physical properties of Cyclohexyl methyl ether: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.77; (6)ACD/BCF (pH 7.4): 18.77; (7)ACD/KOC (pH 5.5): 283.87; (8)ACD/KOC (pH 7.4): 283.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 34.12 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 13.52×10-24cm3; (17)Surface Tension: 26 dyne/cm; (18)Enthalpy of Vaporization: 35.52 kJ/mol; (19)Vapour Pressure: 10.6 mmHg at 25°C.
Preparation: this chemical can be prepared by methoxybenzene. This reaction will need reagents Al2O3 ,H2 and solvent tetrahydrofuran. The reaction time is 2 hour(s) with reaction temperature of 20 ℃. The yield is about 7%.
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Uses of Cyclohexyl methyl ether: it can be used to produce cyclohexanone. This reaction will need reagent Sodium bromate and solvents H2O, acetonitrile. The reaction time is 12 hour(s) with reaction temperature of 80 ℃. The yield is about 81%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C1CCCCC1
(2)InChI: InChI=1/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3
(3)InChIKey: GHDIHPNJQVDFBL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3
(5)Std. InChIKey: GHDIHPNJQVDFBL-UHFFFAOYSA-N