CAS No.102-40-9,1,3-Bis(2-hydroxyethoxy)benzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102-40-9
Name:	1,3-Bis(2-hydroxyethoxy)benzene
Article Data:	14

Formula:	C₁₀H₁₄O₄
Molecular Weight:	198.219
Synonyms:	Ethanol,2,2'-(m-phenylenedioxy)di- (6CI,7CI,8CI);1,3-Dihydroxybenzene bis(2-hydroxyethyl) ether;1,3-Dihydroxybenzenedi(2-hydroxyethyl) ether;2,2'-(m-Phenylenedioxy)diethanol;NSC 65613;O,O-Bis(b-hydroxyethyl)resorcinol;RE 2;Resorcinol bis(2-hydroxyethyl) ether;Resorcinol bis(b-hydroxyethyl) ether;m-Bis(2-hydroxyethoxy)benzene;m-Di(2-hydroxyethoxy)benzene;
EINECS:	203-028-3
Density:	1.198 g/cm³
Melting Point:	90 °C
Boiling Point:	377.95 °C at 760 mmHg
Flash Point:	182.378 °C
Solubility:	18g/L at 20℃
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	58.92000
LogP:	0.42880

Synthetic route

: 107-21-1
ethylene glycol

: 108-46-3
recorcinol

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With sodium carbonate; urea; zinc(II) oxide at 170 - 190℃;	99%

: 66644-04-0
diethyl 2,2′‐(1,3‐phenylenebis(oxy))diacetate

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 3h; Heating;	81%

: 107-07-3
2-chloro-ethanol

: 108-46-3
recorcinol

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water for 72h; Heating;	69%
With potassium hydroxide at 100℃;
With sodium ethanolate

: 108-46-3
recorcinol

biphenyldiol-(2.4'): biphenyldiol-(2.4')

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 47 percent / KOH / ethanol / 72 h / Heating 2: 81 percent / LiAlH4 / tetrahydrofuran / 3 h / Heating View Scheme

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

: 58851-58-4
2,4-bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide

: 1379612-23-3
O,O'-benzene-1,3-bis[ethoxy-2-(3,5-di-tert-butyl-4-hydroxyphenyldithiophosphonic acid)]

Conditions

Conditions	Yield
In benzene at 20℃; Inert atmosphere;	91%

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

: 92825-37-1, 88816-02-8
2,4-(4-phenoxyphenyl)-1,3-dithia-2λ(5),4λ(5)-diphosphetane 2,4-disulfides

: 1379612-26-6
O,O'-benzene-1,3-bis[ethoxy-2-(4-phenoxyphenyldithiophosphonic acid)]

Conditions

Conditions	Yield
In benzene at 20℃; for 2h; Inert atmosphere;	91%

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

: 58929-74-1
1,3-bis(2-bromoethoxy)benzene

Conditions

Conditions	Yield
With bromine; triphenylphosphine In acetonitrile at 20℃;	83.7%
With bromine; triphenylphosphine In acetonitrile 1.) 5 deg C up to RT; 2.) RT, 4 h;	66%
With phosphorus tribromide

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

: 122-60-1
Phenyl glycidyl ether

: C28H34O8

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 70℃;	82%

: 35302-72-8
pyrrol-2-yl trichloromethyl ketone

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

: 1282042-48-1
1,3-bis[2-(pyrrol-2-carbonyloxy)ethoxy]benzene

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 20h; Reflux;	63%

: 102-40-9
1,3-bis(2-hydroxyethoxy)benzene

: 98-59-9
p-toluenesulfonyl chloride

: 136028-18-7
1,3-bis(2-tosyloxyethoxy)benzene

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 96h; Ambient temperature;	60%

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Specification

The 1,3-Bis(2-hydroxyethoxy)benzene is an organic compound with the formula C₁₀H₁₄O₄. The IUPAC name of this chemical is 2-[3-(2-hydroxyethoxy)phenoxy]ethanol. With the CAS registry number 102-40-9 and EINECS 203-028-3, it is also named as Ethanol, 2,2'-(1,3-phenylenebis(oxy))bis-. The product's category is Aromatic Ethers.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.23; (8)ACD/KOC (pH 7.4): 23.23; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 51.94 cm³; (14)Molar Volume: 165.4 cm³; (15)Polarizability: 20.59×10^-24 cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Enthalpy of Vaporization: 66.01 kJ/mol; (18)Vapour Pressure: 2.19E-06 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 198.089209; (21)MonoIsotopic Mass: 198.089209; (22)Topological Polar Surface Area: 58.9; (23)Heavy Atom Count: 14; (24)Complexity: 126.

Preparation of 1,3-Bis(2-hydroxyethoxy)benzene: It can be obtained by 2-chloro-ethanol and benzene-1,3-diol. This reaction needs reagent NaOH and solvents ethanol, H₂O by heating. The reaction time is 3 days. The yield is 69%.

Uses of 1,3-Bis(2-hydroxyethoxy)benzene: It can be used to produce 1,3-bis-(2-bromo-ethoxy)-benzene. This reaction needs reagent PBr₃.

People can use the following data to convert to the molecule structure.
1. SMILES:O(c1cccc(OCCO)c1)CCO
2. InChI:InChI=1/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2
3. InChIKey:IAXFZZHBFXRZMT-UHFFFAOYAO