2-(2-Chloroethoxy)ethanol

Base Information

• Chemical Name: 2-(2-Chloroethoxy)ethanol
• CAS No.: 628-89-7
• Molecular Formula: C4H9ClO2
• Molecular Weight: 124.567
• Hs Code.: 29094990
• European Community (EC) Number: 211-059-9
• NSC Number: 2648
• UNII: R2UP818L4I
• DSSTox Substance ID: DTXSID9060861
• Nikkaji Number: J34.792B
• Wikidata: Q27287714
• Mol file: 628-89-7.mol

Synonyms:2-(2-chloroethoxy)ethanol

Chemical Property of 2-(2-Chloroethoxy)ethanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.234mmHg at 25°C
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 182.5 °C at 760 mmHg
• PKA: 14.34±0.10(Predicted)
• Flash Point: 90.6 °C
• PSA: 29.46000
• Density: 1.134 g/cm³
• LogP: 0.23410
• Storage Temp.: 2-8°C
• Solubility.: SOLUBLE
• Water Solubility.: SOLUBLE
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 124.0291072
• Heavy Atom Count: 7
• Complexity: 32.9

Purity/Quality:

98% and 99% ^*data from raw suppliers

2-(2-Chloroethoxy)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(COCCCl)O
• Uses: 2-(2-Chloroethoxy)ethanol is a degradation product of Bis(2-Chloroethyl) Ether. 2-(2-Chloroethoxy)ethanol is a potential genotoxic impurity (PGI) in active pharmaceutical ingredients (APIs). 2-(2-Chloroethoxy)ethanol is employed in the preparation of o-nitrophenylbromoacetaldehyde bis-2-(2-chloroethoxy)-ethyl acetal, quetiapine and 2-(2-azidoethoxy)ethanol. 2-(2-Chloroethoxy)ethanol was used in the synthesis of o-nitrophenylbromoacetaldehyde bis-2-(2-chloroethoxy)-ethyl acetal, quetiapine (an antipsychotic drug) and 2-(2-azidoethoxy)ethanol.

Technology Process of 2-(2-Chloroethoxy)ethanol

There total 14 articles about 2-(2-Chloroethoxy)ethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethylene glycol (107-21-1) + 2-chloro-ethanol (107-07-3) → 2-(2-(2-(2-chloroethoxy)ethoxy)ethoxy)ethanol (5197-66-0) + 2-[2-(chloroethoxy)ethoxy]ethanol (5197-62-6) + 2-(2-Chloroethoxy)ethanol (628-89-7)

Guidance literature:

at 140 ℃;

Reference yield:

2-chloro-ethanol (107-07-3) → 1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 2-[2-(chloroethoxy)ethoxy]ethanol (5197-62-6) + 2-(2-Chloroethoxy)ethanol (628-89-7) + 1,2-dichloro-ethane (107-06-2,52399-93-6) + 3-oxa-1,5-dichloropentane (111-44-4)

Guidance literature:

at 150 ℃; for 5h; Product distribution; Kinetics; Rate constant; dependence of the products of ECH decomposition on temperature in sealed tube at 115, 130, 140, 150, 160 deg C;

Reference yield:

oxirane (75-21-8,99932-75-9) + sulfuric acid (7664-93-9) + 2-chloro-ethanol (107-07-3) → 1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 2-[2-(chloroethoxy)ethoxy]ethanol (5197-62-6) + 2-(2-Chloroethoxy)ethanol (628-89-7)

Guidance literature:

upstream raw materials:

oxirane

2-chloro-ethanol

ethylene glycol

2-(2-chloroethoxy)ethyl ethanoate

Downstream raw materials:

1-[2-(2-hydroxyethoxy)ethyl]piperazine

1-[2-(2-hydroxy-ethoxy)-ethyl]-4-phenyl-piperidine-4-carboxylic acid ethyl ester

4-(diphenylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperazine

6-methyl-3-oxa-6-aza-octane-1,8-diol