Diethylene glycol monohexyl ether

Base Information

• Chemical Name: Diethylene glycol monohexyl ether
• CAS No.: 112-59-4
• Molecular Formula: C10H22 O3
• Molecular Weight: 190.283
• Hs Code.: 29094400
• European Community (EC) Number: 203-988-3
• ICSC Number: 1572
• NSC Number: 403666
• UNII: Z6X09N6YJL
• DSSTox Substance ID: DTXSID4026921
• Nikkaji Number: J36.821K
• Wikidata: Q27295083
• ChEMBL ID: CHEMBL2131110
• Mol file: 112-59-4.mol

Synonyms:DGHE;diethylene glycol monohexyl ether

Chemical Property of Diethylene glycol monohexyl ether

Chemical Property:

• Vapor Pressure: 0.00182mmHg at 25°C
• Melting Point: ?40 ºC(lit.)
• Refractive Index: n20/D 1.4381(lit.)
• Boiling Point: 260 ºC at 760 mmHg
• PKA: 14.37±0.10(Predicted)
• Flash Point: 140 ºC
• PSA: 38.69000
• Density: 0.933 g/cm³
• LogP: 1.59220
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: 17g/l
• Water Solubility.: Soluble in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 190.15689456
• Heavy Atom Count: 13
• Complexity: 86.2

Purity/Quality:

99.9% ^*data from raw suppliers

Diethylene Glycol Monohexyl Ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 21-41-38
• Safety Statements: 26-36/37-46-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Glycol Ethers (E Series)
• Canonical SMILES: CCCCCCOCCOCCO
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes. The substance is irritating to the skin.
• Uses: Used as a solvent for coatings and degreasing.

Technology Process of Diethylene glycol monohexyl ether

There total 5 articles about Diethylene glycol monohexyl 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: 68.0%

1-bromo-hexane (111-25-1) + diethylene glycol (111-46-6) → diethylene glycol monohexyl ether (112-59-4)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; at 100 - 105 ℃;

DOI:10.1007/s11172-015-1209-7

Reference yield:

1-bromo-hexane (111-25-1) → diethylene glycol monohexyl ether (112-59-4)

Guidance literature:

With diethylene glycol; at 200 ℃;

Reference yield:

oxirane (75-21-8,99932-75-9) + hexan-1-ol (111-27-3) → diethylene glycol monohexyl ether (112-59-4)

Guidance literature:

With boron trifluoride diethyl etherate; at 50 ℃;

upstream raw materials:

oxirane

2-hexyloxyethanol

hexan-1-ol

1-bromo-hexane

Downstream raw materials:

2-[2-(2-hexyloxy-ethoxy)-ethoxy]-ethanol

2-(2'-n-hexyloxyethoxy)ethyl p-toluenesulfonate

(2-(2-(hexyloxy)ethoxy)ethoxy)benzene

Refernces

• 1、 -. "Combinatorial synthesis of PEG oligomer libraries". Page/Page column 9. . Retrieved 2010/02/15.