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Cas Database |
| Name |
1,1'-Oxybis(cyclohexane) |
EINECS | 225-075-9 |
| CAS No. | 4645-15-2 | Density | 0.92 g/cm3 |
| PSA | 9.23000 | LogP | 3.66840 |
| Solubility | N/A | Melting Point |
-36°C |
| Formula | C12H22O | Boiling Point | 242.5 °C at 760 mmHg |
| Molecular Weight | 182.306 | Flash Point | 93.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclohexylether (7CI,8CI);Dicyclohexyl ether;NSC 17519;1,1'-Oxybis(cyclohexane); |
Article Data | 101 |
1,1'-Oxybis(cyclohexane) Synthetic route
| Conditions | Yield |
|---|---|
| With 1,1,3,3-Tetramethyldisiloxane; copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; for 1h; | 97% |
| With triethylsilane; 1-methyl-1-phenylethyl alcohol; ytterbium(III) triflate In 1,2-dichloro-ethane for 24h; Reagent/catalyst; Reflux; | 88% |
| With trimethylsilan; trimethylsilyl trifluoromethanesulfonate In dichloromethane 0 deg C, 30 min. then 28 deg C, 14 h.; | 86% |
| Conditions | Yield |
|---|---|
| With copper acetylacetonate; carbon tetrabromide at 150℃; for 8h; Inert atmosphere; Sealed tube; | 95% |
| With yttrium iron garnet In neat (no solvent) at 80℃; for 0.25h; Green chemistry; | 91% |
| With sulfuric acid; silica gel In hexane for 0.333333h; Heating; | 85% |
| Conditions | Yield |
|---|---|
| With triethylsilane; trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78 - -30℃; | 95% |
| With triethylsilane; 1,1,1,2,2,2-hexamethyldisilane; iodine In dichloromethane | 75% |
| Conditions | Yield |
|---|---|
| With triethylsilane; ytterbium(III) triflate In 1,2-dichloro-ethane for 24h; Reflux; | 91% |
| With hydrogenchloride; hydrogen; platinum(IV) oxide |
| Conditions | Yield |
|---|---|
| With copper acetylacetonate; Bromotrichloromethane at 150℃; for 8h; Inert atmosphere; Sealed tube; | A 88% B 10% |
| With carbon tetrabromide; copper(I) bromide at 150℃; for 8h; Reagent/catalyst; Inert atmosphere; Sealed tube; | A 21% B 44% |
- 17012-35-0
(cyclohex-1-en-1-yloxy)benzene
A
- 4645-15-2
dicyclohexyl ether
B
- 2206-38-4
cyclohexylphenyl ether
C
- 1821-36-9
N-phenyl-2-cyclohexylamine
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; 10 wt% Pd(OH)2 on carbon; ammonia In water; m-xylene at 150℃; for 24h; Inert atmosphere; Sealed tube; | A 6% B 85% C 7% |
- 617-86-7
triethylsilane
- 108-94-1
cyclohexanone
A
- 994-49-0
hexaethyl disiloxane
B
- 4645-15-2
dicyclohexyl ether
C
- 4419-18-5
triethyl-cyclohexyloxy-silane
| Conditions | Yield |
|---|---|
| With Fe-montmorillonite (Fe-Mn) (solid acid) In dichloromethane for 0.5h; Product distribution; Mechanism; Ambient temperature; other ketones, aldehydes and esters; other hydrosilanes; var. solid acids and bases; trifluoromethanesulfonic acid and its salt; | A n/a B 81% C 7% |
| Conditions | Yield |
|---|---|
| With hydrogen In neat (no solvent) at 80℃; under 2964.2 Torr; for 24h; Autoclave; | 76% |
| With kieselguhr; nickel at 150℃; under 117681 Torr; Hydrogenation; | |
| With hydrogen; Ru-carbon at 100℃; under 387861 Torr; |
| Conditions | Yield |
|---|---|
| With Montmorillonite K 10 for 6h; Heating; | A 0.7 % Chromat. B 76% |
- 617-86-7
triethylsilane
- 108-94-1
cyclohexanone
A
- 4645-15-2
dicyclohexyl ether
B
- 4419-18-5
triethyl-cyclohexyloxy-silane
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In dichloromethane for 0.3h; Ambient temperature; | A 4% B 67% |
| triethylsilyl iodide for 24h; |
1,1'-Oxybis(cyclohexane) Specification
The IUPAC name of 1,1'-Oxybis(cyclohexane) is cyclohexyloxycyclohexane. With the CAS registry number 4645-15-2, it is also named as Dicyclohexyl ether. In addition, its molecular formula is C12H22O and molecular weight is 182.30248.
The other characteristics of 1,1'-Oxybis(cyclohexane) can be summarized as: (1)EINECS: 225-075-9; (2)ACD/LogP: 4.04; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.04; (5)ACD/LogD (pH 7.4): 4.04; (6)ACD/BCF (pH 5.5): 689.74; (7)ACD/BCF (pH 7.4): 689.74; (8)ACD/KOC (pH 5.5): 3745.68; (9)ACD/KOC (pH 7.4): 3745.68; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 55.21 cm3; (15)Molar Volume: 196.8 cm3; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 0.92 g/cm3; (18)Flash Point: 93.9 °C; (19)Enthalpy of Vaporization: 46.01 kJ/mol; (20)Boiling Point: 242.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0526 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(C1CCCCC1)C2CCCCC2
(2)InChI: InChI=1/C12H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2
(3)InChIKey: OCDXZFSOHJRGIL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H22O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2
(5)Std. InChIKey: OCDXZFSOHJRGIL-UHFFFAOYSA-N
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