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2050-46-6

Basic Information
CAS No.: 2050-46-6
Name: 1,2-Diethoxybenzene
Article Data: 21
Molecular Structure:
Molecular Structure of 2050-46-6 (1,2-Diethoxybenzene)
Formula: C10H14O2
Molecular Weight: 166.22
Synonyms: Benzene,o-diethoxy- (6CI,7CI,8CI);Catechol diethyl ether;NSC6189;o-Diethoxybenzene;
EINECS: 218-089-1
Density: 0.975 g/cm3
Melting Point: 43-45 °C
Boiling Point: 218.7 °C at 760 mmHg
Flash Point: 73.8 °C
Solubility: 646mg/L at 20℃
Appearance: light brown crystalline low melting mass or liquid
Safety: 24/25
PSA: 18.46000
LogP: 2.48400
Synthetic route
120-80-9

benzene-1,2-diol

75-03-6

ethyl iodide

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
With potassium carbonate In acetone Heating;88%
With 18-crown-6 ether; potassium carbonate In acetonitrile for 18h; Reflux;76%
With sodium hydroxide
With potassium hydroxide
5409-31-4

3,4-diethoxybenzoic acid

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
With methyllithium; calcium carbonate bei der Destillation;
64-67-5

diethyl sulfate

120-80-9

benzene-1,2-diol

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
With potassium carbonate; acetone
94-71-3

2-Ethoxyphenol

75-03-6

ethyl iodide

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
With potassium hydroxide
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 80℃; for 30h;
120-80-9

benzene-1,2-diol

75-03-6

ethyl iodide

alcoholic potash

alcoholic potash

2050-46-6

1,2-diethoxybenzene

120-80-9

benzene-1,2-diol

haloethane

haloethane

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
With potassium hydroxide In 2-methoxy-ethanol
120-80-9

benzene-1,2-diol

C2H5Hal

C2H5Hal

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
With alkali
74-96-4

ethyl bromide

120-80-9

benzene-1,2-diol

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
With potassium hydroxide In ethanol
75332-44-4

3,4-diethoxybenzoic acid ethyl ester

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: diluted NaOH-solution
2: lime/chalk/ / bei der Destillation
View Scheme
120-80-9

benzene-1,2-diol

Et-X (X = Br or I)

Et-X (X = Br or I)

A

94-71-3

2-Ethoxyphenol

B

2050-46-6

1,2-diethoxybenzene

Conditions
ConditionsYield
With potassium carbonate In acetone
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Chemistry

Molecular Formula: C10H14O2
Molar mass: 166.22 g/mol
EINECS: 218-089-1
Density: 0.975 g/cm3
Flash Point: 73.8 °C
Melting point: 43-45 °C
Index of Refraction: 1.485
Boiling Point: 218.7 °C at 760 mmHg
Vapour Pressure: 0.183 mmHg at 25°C
Appearance: Light brown crystalline low melting mass or liquid
Product categories: Aromatic ethers
Structure of 1,2-Diethoxybenzene (2050-46-6):
             
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: 1,2-Diethoxybenzene
Canonical SMILES: CCOC1=CC=CC=C1OCC
InChI: InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3 
InChIKey: QZYDOKBVZJLQCK-UHFFFAOYSA-N

Production

Its preparation method is: adding catechol, 25% sodium hydroxide solution, chloroethane and solvent into autoclave, and then heating to 90 ℃ and then keep 5h, and then have de-solvent, filtering to get the product: 1,2-Diethoxybenzene (2050-46-6).Etherification agent can also be replaced with Dimethyl sulfate , O-p-toluenesulfonate ester , Ethyl iodide , Ethyl bromide and so on, but using of chloroethane as etherification agent, it is better fpr raw materials readily available, inexpensive, low cost, high yield characteristics.

Toxicity Data With Reference

1.    

eye-rbt 100 mg MLD

    FCTOD7    Food and Chemical Toxicology. 20 (1982),573.
2.    

eye-rbt 100 mg/30S RNS MLD

    FCTOD7    Food and Chemical Toxicology. 20 (1982),573.

Carcinogenicity of 1,2-Diethoxybenzene (2050-46-6) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

An eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 1,2-Diethoxybenzene (2050-46-6) also can be called o-Diethoxy benzene ; Benzene, 1,2-diethoxy- ; Benzene, o-diethoxy- ; Catechol diethyl ether .And it is used as raw materials for pharmaceutical and pesticide.
 1,2-Diethoxybenzene (2050-46-6) is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, 1,2-Diethoxybenzene (2050-46-6) is moisture sensitive. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials.And also prevent it to broken down into hazardous decomposition products: carbon dioxide,carbon monoxide.