2-(Hexyloxy)ethanol

Base Information

• Chemical Name: 2-(Hexyloxy)ethanol
• CAS No.: 112-25-4
• Molecular Formula: C8H18 O2
• Molecular Weight: 146.23
• Hs Code.: 29091990
• European Community (EC) Number: 203-951-1
• ICSC Number: 1571
• UNII: 7P0O8282NR
• DSSTox Substance ID: DTXSID1026908
• Nikkaji Number: J92.968I
• Wikipedia: 2-Hexoxyethanol
• Wikidata: Q27268660
• ChEMBL ID: CHEMBL3188016
• Mol file: 112-25-4.mol

Synonyms:EGHE;ethylene glycol monohexyl ether

Chemical Property of 2-(Hexyloxy)ethanol

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 10Pa at 20℃
• Melting Point: -45.1oC
• Refractive Index: n20/D 1.431
• Boiling Point: 98-99°C 0,15mm
• PKA: 14.44±0.10(Predicted)
• Flash Point: 210°F
• PSA: 29.46000
• Density: 0.888 g/mL at 20 °C(lit.)
• LogP: 1.57560
• Storage Temp.: -15°C
• Water Solubility.: Soluble in alcohol and ether, water (9.46 g/L ).
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 55.2

Purity/Quality:

99.9% ^*data from raw suppliers

Ethylene glycol monohexyl ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 21/22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Glycol Ethers (E Series)
• Canonical SMILES: CCCCCCOCCO
• 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 Short Term Exposure: The substance is severely irritating to the eyes, skin and respiratory tract.
• Effects of Long Term Exposure: The substance may have effects on the blood.
• Uses: High-boiling solvent. 2-(n-Hexyloxy)ethanol is used as solvents in speciality printing inks and coalescing aids in surface coatings, coupling agent, rust remover, adhesives and surface cleaners.

Technology Process of 2-(Hexyloxy)ethanol

There total 6 articles about 2-(Hexyloxy)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: 95.8%

ethylene glycol (107-21-1) + hexanal (66-25-1) → 2-hexyloxyethanol (112-25-4)

Guidance literature:

With chitosan immobilized with 3-(3-vinylimidazolyl)propane-1-sulfonate and 12-phosphotungstic acid; In cyclohexane; at 80 ℃; for 2h; Reflux; Dean-Stark;

DOI:10.1039/c6ra02169g

Reference yield: 83.0%

2-n-hexoxyethyl p-toluenesulfonate (90155-57-0) + potassium phtalimide (1074-82-4) → 2-hexyloxyethanol (112-25-4) + 2-(2-(hexyloxy)ethyl)isoindoline-1,3-dione (1268135-85-8)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 18h;

DOI:10.1021/jo102358d

Reference yield: 59.0%

1-bromo-hexane (111-25-1) + ethylene glycol (107-21-1) → 2-hexyloxyethanol (112-25-4)

Guidance literature:

ethylene glycol; With sodium; at 60 ℃; Inert atmosphere;

1-bromo-hexane; for 3h; Reflux; Inert atmosphere;

DOI:10.1016/j.dyepig.2012.07.017

upstream raw materials:

oxirane

hexan-1-ol

ethylene glycol

1-bromo-hexane

Downstream raw materials:

diethylene glycol monohexyl ether

lactic acid-(2-hexyloxy-ethyl ester)

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

Tetraethylene glycol monohexyl ether

Refernces

• 1、 Zhang, Wei-Hong,Liu, Shan-Shan,Liu, Ping,Xu, Jie,Xue, Bing,Wei, Xian-Yong,Li, Yong-Xin. "Chitosan grafted with a heteropolyanion-based ionic liquid as an effective and reusable catalyst for acetalization". . p. 41404 - 41409. Retrieved 2016/05/19.
• 2、 Harjani, Jitendra R.,Liang, Chen,Jessop, Philip G.. "A Synthesis of acetamidines". experimental part. p. 1683 - 1691. Retrieved 2011/05/12.