DIHEXYL ETHER

Base Information

• Chemical Name: DIHEXYL ETHER
• CAS No.: 112-58-3
• Molecular Formula: C12H26 O
• Molecular Weight: 186.338
• Hs Code.: 2909199090
• European Community (EC) Number: 203-987-8
• NSC Number: 9286
• UNII: W1U07QA435
• DSSTox Substance ID: DTXSID8059421
• Nikkaji Number: J1.996H
• Wikidata: Q63392163
• Mol file: 112-58-3.mol

Synonyms:Hexyl ether(6CI,7CI,8CI); 1,1'-Oxybis[hexane]; Bis(1-hexyl) ether; Di-n-hexyl ether;Dihexyl ether; NSC 9286; n-Hexyl ether

Chemical Property of DIHEXYL ETHER

Chemical Property:

• Vapor Pressure: 0.148mmHg at 25°C
• Melting Point: -43oC
• Refractive Index: n20/D 1.4204(lit.)
• Boiling Point: 228-229°C(lit.)
• Flash Point: 173°F
• PSA: 9.23000
• Density: 0.793g/mLat 25°C(lit.)
• LogP: 4.16360
• Water Solubility.: Fully miscible in water.
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 186.198365449
• Heavy Atom Count: 13
• Complexity: 71.2

Purity/Quality:

99.9% ^*data from raw suppliers

Hexyl Ether >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Combustible.
• Hazard Codes: Combustible.
• Statements: 66
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: CCCCCCOCCCCCC
• Uses: Dihexyl ether has been used as: supported liquid membrane during hollow-fiber liquid-phase microextraction method for determination of nitrophenolic compounds from atmospheric aerosol particles, an extraction solvent to detect avermectins in stream water by hollow-fiber-assisted liquid-phase microextraction technique coupled with LC-MS/MS. Dihexyl ether has been used as:supported liquid membrane during hollow-fiber liquid-phase microextraction method for determination of nitrophenolic compounds from atmospheric aerosol particlesan extraction solvent to detect avermectins in stream water by hollow-fiber-assisted liquid-phase microextraction technique coupled with LC-MS/MS Extraction processes, manufacture of collodion, photographic film, and smokeless powder.

Technology Process of DIHEXYL ETHER

There total 39 articles about DIHEXYL 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: 61.7%

hexan-1-ol (111-27-3) → 1-hexene (592-41-6,25067-06-5) + cis-3-hexene (7642-09-3) + trans-3-Hexene (13269-52-8) + n-hexan-2-ol (626-93-7) + cis-2-hexene (7688-21-3) + trans-2-hexene (4050-45-7) + bis(2-hexyl) ether (57821-86-0) + dihexyl ether (112-58-3) + 2-Hexyloxy-hexane

Guidance literature:

With Amberlyst 70; at 190 ℃; for 6h; under 15751.6 Torr; Temperature; Kinetics; Autoclave; Inert atmosphere;

DOI:10.1016/j.apcata.2009.11.024

Reference yield: 61.0%

benzyl alcohol (100-51-6,185532-71-2) + hexan-1-ol (111-27-3) → dihexyl ether (112-58-3) + dibenzyl ether (103-50-4) + benzyl hexyl ether (61103-84-2)

Guidance literature:

With copper acetylacetonate; carbon tetrabromide; at 150 ℃; for 8h; Inert atmosphere; Sealed tube;

DOI:10.1134/S1070428018080055

Reference yield: 40.0%

hexan-1-ol (111-27-3) → dihexyl ether (112-58-3) + hexanal (66-25-1)

Guidance literature:

With dihydrogen peroxide; In water; at 80 - 120 ℃; for 0.5h; Time; Temperature; Reagent/catalyst; Solvent; Microwave irradiation; Green chemistry;

DOI:10.1039/c3gc40110c

upstream raw materials:

hexan-1-ol

tripropylsilane

methyl hexanoate

1-Iodohexane

Downstream raw materials:

hexanoyl fluoride

n-hexyl caproate

hexanal

hexan-1-ol

Refernces

• 1、 Bruniaux, Sophie,Luart, Denis,Len, Christophe. "Continuous-Flow Reductive Alkylation: Synthesis of Bio-based Symmetrical and Disymmetrical Ethers". . p. 1849 - 1856. Retrieved 2018.
• 2、 Mori, Hajime,Wada, Aya,Xu, Qiang,Souma, Yoshie. "Novel application of a solid super acid, sulfated zirconia, as a catalyst for Koch carbonylation reaction". . p. 136 - 137. Retrieved 2000.
• 3、 -. "PROCESSES FOR PRODUCING ALCOHOLS FROM BIOMASS AND FURTHER PRODUCTS DERIVED THEREFROM". Paragraph 0530-0534. . Retrieved 2021/11/26.
• 4、 -. "PROCESS". Page/Page column 31-32. . Retrieved 2020/09/08.