Triethylene glycol monoethyl ether

Base Information

• Chemical Name: Triethylene glycol monoethyl ether
• CAS No.: 112-50-5
• Molecular Formula: C8H18O4
• Molecular Weight: 178.229
• Hs Code.: 29094990
• European Community (EC) Number: 203-978-9
• ICSC Number: 0718
• UNII: 4G0E2G9582
• DSSTox Substance ID: DTXSID3024368
• Nikkaji Number: J22.129E
• Wikidata: Q2379098
• ChEMBL ID: CHEMBL1900144
• Mol file: 112-50-5.mol

Synonyms:triethylene glycol monoethyl ether

Chemical Property of Triethylene glycol monoethyl ether

Chemical Property:

• Appearance/Colour: Odorless colorless liquid
• Vapor Pressure: 0.00238mmHg at 25°C
• Melting Point: -19°C(lit.)
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 255.999 °C at 760 mmHg
• PKA: 14.36±0.10(Predicted)
• Flash Point: 106.443 °C
• PSA: 47.92000
• Density: 1.006 g/cm³
• LogP: 0.04840
• Solubility.: Completely miscible in water
• Water Solubility.: 1.02g/L at 20℃
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 178.12050905
• Heavy Atom Count: 12
• Complexity: 77.5

Purity/Quality:

99% ^*data from raw suppliers

Triethylene Glycol Monoethyl Ether >90.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Glycol Ethers (E Series)
• Canonical SMILES: CCOCCOCCOCCO
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Uses: Chemical intermediate.

Technology Process of Triethylene glycol monoethyl ether

There total 11 articles about Triethylene glycol monoethyl ether 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: 97.0%

2-(2-(2-(2-iodoethoxy)ethoxy)ethoxy)ethanol (136399-06-9) → monoethyl ether of triethylene glycol (112-50-5)

Guidance literature:

With tri(2-furyl)germane; 2,2’-azobis(4-methoxy-2,4-dimethyl)valeronitrile; In water; at 80 ℃; for 1h;

DOI:10.1246/bcsj.74.747

Reference yield: 60.0%

ethyl iodide (75-03-6) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → monoethyl ether of triethylene glycol (112-50-5)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1021/jo980259o

Reference yield:

oxirane (75-21-8,99932-75-9) + ethoxyethoxyethanol (111-90-0) → monoethyl ether of triethylene glycol (112-50-5) + 3,6,9,12-tetraoxatetradecan-1-ol (5650-20-4)

Guidance literature:

With ethanolamine; at 50 - 60 ℃;

upstream raw materials:

oxirane

ethanol

ethoxyethoxyethanol

ethanolamine

Downstream raw materials:

1-ethoxy-8-(2-nitro-phenoxy)-3,6-dioxa-octane

2-(2-(2-ethoxyethoxy)ethoxy)ethyl 4-methylbenzenesulfonate

1,14-diethoxy-3,6,9,12-tetraoxa-tetradecane

3,6,9-trioxaundecyl acrylate

Refernces

• 1、 Philippen, Annie,Degueil-Castaing, Marie,Beckwith, Athelstan L. J.,Maillard, Bernard. "Formation of macrocyclic ethers by free radical cyclization: Effects of chain length, substituents, and solvents". . p. 6814 - 6819. Retrieved 2007/10/03.