1,3-Bis(2-hydroxyethoxy)benzene supplier

Name
1,3-Bis(2-hydroxyethoxy)benzene
EINECS 203-028-3
CAS No. 102-40-9
Article Data14
CAS DataBase
Density 1.198 g/cm³
Solubility 18g/L at 20℃
Melting Point 90 °C
Formula C₁₀H₁₄O₄
Boiling Point 377.95 °C at 760 mmHg
Molecular Weight 198.219
Flash Point 182.378 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
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;
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%

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

: 98-59-9
p-toluenesulfonyl chloride

: 2-(3-(2-hydroxyethoxy)phenoxy)ethyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With pyridine at 0℃; for 2h;	56%

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

: 66-25-1
hexanal

: 4,6,10,12,16,18,22,24-octakis(2-hydroxyethoxy)-2,8,14,20-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 90℃;	55%
With hydrogenchloride In ethanol; water at 90℃; for 48h;

: 10486-19-8
tridecanal

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

: 2,2',2'',2''',2'''',2''''',2'''''',2'''''''-(((2R,4S)-2,4,6,8-tetradodecyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,16,34,36,54,56,74,76-octayl)octakis(oxy))octakis(ethan-1-ol)

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 0 - 90℃; for 48.25h;	47%

: 112-54-9
Dodecanal

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

: 2,2',2'',2''',2'''',2''''',2'''''',2'''''''-(((2R,4S)-2,4,6,8-tetraundecyl-1,3,5,7(1,3)-tetrabenzencyclooctaphane-14,16,34,36,54,56,74,76-octayl)octakis(oxy))octakis(ethan-1-ol)

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 0 - 90℃; for 48.25h;	46%

: 112-31-2
caprinaldehyde

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

: 1227741-79-8
2,2',2'',2''',2'''',2''''',2'''''',2'''''''-(((2R,4S)-2,4,6,8-tetranonyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,16,34,36,54,56,74,76-octayl)octakis(oxy))octakis(ethan-1-ol)

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 0 - 90℃; for 48.25h;	44%
With hydrogenchloride In ethanol; water at 90℃; for 48h;

: 112-44-7
undecylaldehyde

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

: 2,2',2'',2''',2'''',2''''',2'''''',2'''''''-(((2R,4S)-2,4,6,8-tetrakis(decyl)-1,3,5,7(1,3)-tetrabenzeacyclooctaphane-14,16,34,36,54,56,74,76-octayl)octakis(oxy))octakis(ethan-1-ol)

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 0 - 90℃; for 48.25h;	44%

: 124-19-6
nonan-1-al

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

: 374563-16-3
2,2',2'',2''',2'''',2''''',2'''''',2'''''''-(((2R,4S)-2,4,6,8-tetraoctyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-14,16,34,36,54,56,74,76-octayl)octakis(oxy))octakis(ethan-1-ol)

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 0 - 90℃; for 48.25h;	42%
With hydrogenchloride In ethanol; water at 90℃; for 48h;

: 124-13-0
Octanal

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

: 4,6,10,12,16,18,22,24-octakis(2-hydroxyethoxy)-2,8,14,20-tetraheptylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 0 - 90℃; for 48.25h;	40%
With hydrogenchloride In ethanol at 90℃;	25%
With hydrogenchloride In ethanol; water at 90℃; for 48h;

: 124-13-0
Octanal

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

: C74H116O16

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water at 0 - 90℃; for 48h;	40%

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

: 123-38-6
propionaldehyde

: 4,6,10,12,16,18,22,24-octakis(2-hydroxyethoxy)-2,8,14,20-tetraethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 90℃; for 48h;	37%
With hydrogenchloride In ethanol; water at 90℃; for 48h;

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

: 78-84-2
isobutyraldehyde

: 4,6,10,12,16,18,22,24-octakis(2-hydroxyethoxy)-2,8,14,20-tetraisopropylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 90℃;	20%

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

: 1122-91-4
4-bromo-benzaldehyde

: 3,5,10,12,17,19,25,26-octakis(β-hydroxyethoxy)-1,8,15,22-tetrakis(p-bromophenyl)<14>metacyclophane

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water for 2.5h; Heating;	7%

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

: 100-52-7
benzaldehyde

: 3,5,10,12,17,19,25,26-octakis(β-hydroxyethoxy)-1,8,15,22-tetraphenyl<14>metacyclophane

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water for 2.5h; Heating;	5%

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

: 57052-75-2
2,3,5,6-tetrahydrobenzo[1,2-b;5,4-b']difuran

Conditions

Conditions	Yield
With phosphorus pentaoxide; 2,4-dimethylpentan-3-one

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

: 63807-84-1
1,3-bis-(2-chloro-ethoxy)-benzene

Conditions

Conditions	Yield
With phosphorus pentachloride at 100℃;

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

: 133633-37-1
1,3-bis-(2-acetoxy-ethoxy)-benzene

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

: 1,3-bis-(2-benzoyloxy-ethoxy)-benzene

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

: 76-83-5
trityl chloride

: 1,3-bis-(2-trityloxy-ethoxy)-benzene

Conditions

Conditions	Yield
With pyridine

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

: 74-86-2
acetylene

: 84040-78-8
1,3-bis-(2-vinyloxy-ethoxy)-benzene

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

: 1,3-Bis(2'-hydroxyethoxy)benzene-2-d

Conditions

Conditions	Yield
With sulfuric acid-d2 In acetonitrile for 1h; Quantum yield; Irradiation; different medium acidity; photoprotonation rate constant;
With sulfuric acid-d2 In acetonitrile at 15℃; Quantum yield; Irradiation; var. pD;
With sulfuric acid-d2 In acetonitrile for 1h;

1,3-Bis(2-hydroxyethoxy)benzene 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

Product Name

1,3-Bis(2-hydroxyethoxy)benzene

Synthetic route

1,3-Bis(2-hydroxyethoxy)benzene Specification

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