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| CAS No.: | 102-40-9 |
|---|---|
| Name: | 1,3-Bis(2-hydroxyethoxy)benzene |
| Molecular Structure: | |
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| 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
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| Risk Codes: | R36/37/38 |
| PSA: | 58.92000 |
| LogP: | 0.42880 |
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| 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 | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran for 3h; Heating; | 81% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water for 72h; Heating; | 69% |
| With potassium hydroxide at 100℃; | |
| With sodium ethanolate |
| 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 | 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 | 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 | 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 |
| 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 | 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 | 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%.
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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.
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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