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Cas Database |
| Name |
1,2-Diphenoxyethane |
EINECS | 203-224-9 |
| CAS No. | 104-66-5 | Density | 1.08 g/cm3 |
| PSA | 18.46000 | LogP | 3.14440 |
| Solubility | 22mg/L at 25℃ | Melting Point |
94-96 °C(lit.) |
| Formula | C14H14O2 | Boiling Point | 341.555 °C at 760 mmHg |
| Molecular Weight | 214.264 | Flash Point | 139.355 °C |
| Transport Information | N/A | Appearance | Off-white crystals |
| Safety | 22-24/25 | Risk Codes | 51/53 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ethane,1,2-diphenoxy- (6CI,7CI,8CI);2-Phenoxyethyl phenyl ether;Ethylene glycol diphenyl ether;NSC 6794; |
Article Data | 45 |
1,2-Diphenoxyethane Synthetic route
- 30752-35-3
1-(4-bromophenoxy)-2-phenoxyethane
- 104-66-5
1,2-diphenoxyethane
| Conditions | Yield |
|---|---|
| Stage #1: 1-(4-bromophenoxy)-2-phenoxyethane In tetrahydrofuran at 0℃; for 0.0833333h; Stage #2: With hydrogenchloride In tetrahydrofuran Further stages.; | 99% |
| Conditions | Yield |
|---|---|
| With [2,2]bipyridinyl; copper(l) iodide; sodium carbonate In N,N-dimethyl-formamide at 100℃; | 94% |
| Conditions | Yield |
|---|---|
| 92% |
| Conditions | Yield |
|---|---|
| With [2,2]bipyridinyl; copper(l) iodide; sodium carbonate In N,N-dimethyl-formamide at 100℃; Reagent/catalyst; | 91% |
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene at 130℃; Reagent/catalyst; Large scale; | 89.82% |
| Conditions | Yield |
|---|---|
| Stage #1: 1,2-dichloro-ethane; phenol With sodium carbonate; potassium carbonate at 130 - 160℃; for 6h; Industrial scale; Stage #2: With potassium hydroxide Time; Reagent/catalyst; Industrial scale; | 83.6% |
| With iron(III) hydroxide; sodium carbonate; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 6h; Sealed tube; | 40% |
| With sodium hydroxide; cetyltrimethylammonim bromide 1.) 60 deg C, 0.5 h 2.) 80 deg C, 5 h; Yield given. Multistep reaction; |
- 122-99-6
2-Phenoxyethanol
- 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate
- 104-66-5
1,2-diphenoxyethane
| Conditions | Yield |
|---|---|
| With potassium fluoride; 18-crown-6 ether In tetrahydrofuran at -20℃; for 12h; Inert atmosphere; Sealed tube; | 79% |
| Conditions | Yield |
|---|---|
| With [2,2]bipyridinyl; copper(l) iodide; sodium carbonate In N,N-dimethyl-formamide at 100℃; | 74% |
| Conditions | Yield |
|---|---|
| With titanium(IV) oxide In acetonitrile at 20℃; for 18h; Reagent/catalyst; Schlenk technique; Inert atmosphere; UV-irradiation; | 53% |
| With sodium In pyridine; methanol at 20℃; electrolysis, glasslike-hard carbon anode (GC-E), other anodes; | 44% |
| With benzophenone In benzene Irradiation; |
- 122-59-8
2-phenoxyacetic acid
A
- 621-87-4
3-phenoxy-2-propanone
B
- 104-66-5
1,2-diphenoxyethane
C
- 108-95-2
phenol
| Conditions | Yield |
|---|---|
| With Pt on TiO2 In acetonitrile for 21h; UV-irradiation; Inert atmosphere; | A n/a B 53% C n/a |
1,2-Diphenoxyethane Specification
The cas register number of 1,2-Diphenoxyethane is 104-66-5. It also can be called as 2-Phenoxyethyl phenyl ether and the Systematic name about this chemical is 2-phenoxyethoxybenzene.
Physical properties about 1,2-Diphenoxyethane are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 462.88; (6)ACD/BCF (pH 7.4): 462.88; (7)ACD/KOC (pH 5.5): 2815.45; (8)ACD/KOC (pH 7.4): 2815.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 63.81 cm3; (15)Molar Volume: 198.3 cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.08 g/cm3; (18)Flash Point: 139.4 °C; (19)Enthalpy of Vaporization: 56.21 kJ/mol; (20)Boiling Point: 341.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000158 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
People do not breathe dust and avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1.SMILES: O(c1ccccc1)CCOc2ccccc2
2.InChI: InChI=1/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
3.InChIKey: XCSGHNKDXGYELG-UHFFFAOYAH
4.Std. InChI: InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2.
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