CAS No.104-66-5,1,2-Diphenoxyethane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104-66-5
Name:	1,2-Diphenoxyethane
Article Data:	45

Formula:	C₁₄H₁₄O₂
Molecular Weight:	214.264
Synonyms:	Ethane,1,2-diphenoxy- (6CI,7CI,8CI);2-Phenoxyethyl phenyl ether;Ethylene glycol diphenyl ether;NSC 6794;
EINECS:	203-224-9
Density:	1.08 g/cm³
Melting Point:	94-96 °C(lit.)
Boiling Point:	341.555 °C at 760 mmHg
Flash Point:	139.355 °C
Solubility:	22mg/L at 25℃
Appearance:	Off-white crystals
Risk Codes:	51/53
Safety:	22-24/25
PSA:	18.46000
LogP:	3.14440

Synthetic route

: 30752-35-3
1-(4-bromophenoxy)-2-phenoxyethane

: 104-66-5
1,2-diphenoxyethane

Conditions

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%

: 591-50-4
iodobenzene

: 107-21-1
ethylene glycol

: 104-66-5
1,2-diphenoxyethane

Conditions

Conditions	Yield
With [2,2]bipyridinyl; copper(l) iodide; sodium carbonate In N,N-dimethyl-formamide at 100℃;	94%

: 122-99-6
2-Phenoxyethanol

: 28899-97-0
triphenylbismuth(V) diacetate

: 104-66-5
1,2-diphenoxyethane

Conditions

Conditions	Yield
	92%

: 108-86-1
bromobenzene

: 107-21-1
ethylene glycol

: 104-66-5
1,2-diphenoxyethane

Conditions

Conditions	Yield
With [2,2]bipyridinyl; copper(l) iodide; sodium carbonate In N,N-dimethyl-formamide at 100℃; Reagent/catalyst;	91%

: 108-95-2
phenol

: 622-86-6
2-chloroethoxybenzene

: 104-66-5
1,2-diphenoxyethane

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 130℃; Reagent/catalyst; Large scale;	89.82%

: 107-06-2
1,2-dichloro-ethane

: 108-95-2
phenol

: 104-66-5
1,2-diphenoxyethane

Conditions

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

Conditions	Yield
With potassium fluoride; 18-crown-6 ether In tetrahydrofuran at -20℃; for 12h; Inert atmosphere; Sealed tube;	79%

: 107-21-1
ethylene glycol

: 108-90-7
chlorobenzene

: 104-66-5
1,2-diphenoxyethane

Conditions

Conditions	Yield
With [2,2]bipyridinyl; copper(l) iodide; sodium carbonate In N,N-dimethyl-formamide at 100℃;	74%

: 122-59-8
2-phenoxyacetic acid

: 104-66-5
1,2-diphenoxyethane

Conditions

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

Conditions	Yield
With Pt on TiO2 In acetonitrile for 21h; UV-irradiation; Inert atmosphere;	A n/a B 53% C n/a

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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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