CAS No.104-38-1,Ethanol,2,2'-[1,4-phenylenebis(oxy)]bis- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	104-38-1
Name:	Ethanol,2,2'-[1,4-phenylenebis(oxy)]bis-
Article Data:	24
Cas Database

Formula:	C₁₀H₁₄O₄
Molecular Weight:	198.219
Synonyms:	Ethanol,2,2'-(p-phenylenedioxy)di- (6CI,7CI,8CI);1,4-(2-Hydroxyethoxy)benzene;1,4-Bis(2'-hydroxyethoxy)benzene;1,4-Bis(b-hydroxyethoxy)benzene;1,4-Di(2-hydroxyethoxy)benzene;2,2'-(p-Phenylenedioxy)diethanol;2,2'-[1,4-Phenylenebis(oxy)]bis[ethanol];Bis(b-hydroxyethyl) hydroquinoneether;HQ 2;HQ 20;Hydroquinone di(2-hydroxyethyl ether);Hydroquinone diethylol ether;Hydroquinone dihydroxyethyl ether;NSC 1862;NSC 26611;ThanecureHQ;p-Di(2-hydroxyethoxy)benzene;p-Phenylene bis(b-hydroxyethyl ether);
EINECS:	203-197-3
Density:	1.198 g/cm³
Melting Point:	100-102 °C(lit.)
Boiling Point:	380.001 °C at 760 mmHg
Flash Point:	183.618 °C
Solubility:	practically insoluble in water
Appearance:	white to off-white crystalline powder or flakes
Hazard Symbols:	N/A
Risk Codes:	N/A
Safety:	24/25
Transport Information:	N/A
PSA:	58.92000
LogP:	0.42880

Synthetic route

: 75-21-8
oxirane

: 123-31-9
hydroquinone

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
Stage #1: hydroquinone With 1,1'-bis-(diphenylphosphino)ferrocene In diethylene glycol dimethyl ether at 100℃; Autoclave; Inert atmosphere; Stage #2: oxirane In diethylene glycol dimethyl ether at 130 - 135℃; for 4h; Solvent; Temperature;	99.3%
anion exchange resin A (Cl-type) In 2-methoxy-ethanol; toluene at 100℃; for 6h;	73%
anion exchange resin A (Cl-type) In 2-methoxy-ethanol at 100℃; for 4.5h;	69 %Chromat.

: 107-21-1
ethylene glycol

: 123-31-9
hydroquinone

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With urea; sodium carbonate; zinc(II) oxide at 180℃; for 3h; Product distribution / selectivity;	98%
With sodium carbonate; urea; zinc(II) oxide at 170 - 190℃;	85%

: 96-49-1
[1,3]-dioxolan-2-one

: 123-31-9
hydroquinone

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 140℃;	89%
With 1,4-dioxane; N-benzyl-trimethylammonium hydroxide
With sodium hydride In N,N-dimethyl-formamide

: 123-31-9
hydroquinone

: 107-07-3
2-chloro-ethanol

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
Stage #1: hydroquinone With sodium hydroxide In water for 2h; Inert atmosphere; Reflux; Stage #2: 2-chloro-ethanol In water for 40h; Reflux; Inert atmosphere;	74%
With sodium hydroxide In water for 24h; Heating;	60%
With sodium hydroxide Inert atmosphere;

: 30008-10-7
sodium 4-hydroxybenzen-1-olate

: 107-07-3
2-chloro-ethanol

A: 13427-53-7
4-(2-hydroxyethoxy)-phenol

B: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With ethanol

...Expand

: C20H30O6

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With hydrogenchloride In methanol; dichloromethane for 4h; Ambient temperature;

: 123-31-9
hydroquinone

<(η6-1,2-dichlorobenzene)(η5-cyclopentadienyl)>iron(II) hexafluorophosphate: <(η6-1,2-dichlorobenzene)(η5-cyclopentadienyl)>iron(II) hexafluorophosphate

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOH, sodium dithionite / butan-1-ol / 30 h / Heating 2: conc. HCl / methanol; CH2Cl2 / 4 h / Ambient temperature View Scheme

: 24535-81-7
1,4-Phenylen-bis-oxyacetaldehyd

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 0 - 20℃;	3.87 g

: 5897-78-9
(4-ethoxycarbonylmethoxy-phenoxy)-acetic acid ethyl ester

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran Reflux; Inert atmosphere;

: 123-31-9
hydroquinone

: 104-38-1
1,4-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / acetone / Reflux 2: lithium aluminium tetrahydride / tetrahydrofuran / Reflux; Inert atmosphere View Scheme

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Specification

The Ethanol,2,2'-[1,4-phenylenebis(oxy)]bis-, with CAS registry number 104-38-1, belongs to the following product category: Benzene derivates. It has the systematic name of 2,2'-[benzene-1,4-diylbis(oxy)]diethanol. This chemical is a kind of white to off-white crystalline powder or flakes. When use this chemical, avoid contact with skin and eyes.

Physical properties of Ethanol,2,2'-[1,4-phenylenebis(oxy)]bis-: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.74; (8)ACD/KOC (pH 7.4): 28.74; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 51.94 cm³; (15)Molar Volume: 165.4 cm³; (16)Polarizability: 20.59×10^-24cm³; (17)Surface Tension: 47.1 dyne/cm; (18)Enthalpy of Vaporization: 66.26 kJ/mol; (19)Vapour Pressure: 1.88E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by benzene-1,4-diol and [1,3]dioxolan-2-one. This reaction will need reagents methanol. benzyl-trimethyl-ammonium hydroxide, dioxane.

Uses of Ethanol,2,2'-[1,4-phenylenebis(oxy)]bis-: it can be used to produce 1,4-bis-(2-bromo-ethoxy)-benzene. This reaction will need reagent PBr₃.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(OCCO)cc1)CCO
(2)InChI: InChI=1/C10H14O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4,11-12H,5-8H2
(3)InChIKey: WTPYFJNYAMXZJG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H14O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4,11-12H,5-8H2
(5)Std. InChIKey: WTPYFJNYAMXZJG-UHFFFAOYSA-N