1-Ethoxyhexane

Base Information

• Chemical Name: 1-Ethoxyhexane
• CAS No.: 5756-43-4
• Deprecated CAS: 337520-86-2,1204743-51-0
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• Hs Code.: 2909199090
• European Community (EC) Number: 615-189-0
• DSSTox Substance ID: DTXSID90871145
• Nikkaji Number: J100.388G
• Wikidata: Q3591981
• Mol file: 5756-43-4.mol

Synonyms:ethyl hexyl ether

Chemical Property of 1-Ethoxyhexane

Chemical Property:

• Vapor Pressure: 9.52mmHg at 25°C
• Melting Point: -94°C (estimate)
• Refractive Index: 1.4008
• Boiling Point: 135.5°Cat760mmHg
• Flash Point: 31.2°C
• PSA: 9.23000
• Density: 0.78g/cm³
• LogP: 2.60320
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 43.8

Purity/Quality:

1-ETHOXYHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Solvents -> Ethers (
• Canonical SMILES: CCCCCCOCC

Technology Process of 1-Ethoxyhexane

There total 8 articles about 1-Ethoxyhexane 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: 75.0%

1-Iodohexane (638-45-9) → 1-hexene (592-41-6,25067-06-5) + ethyl n-hexyl ether (5756-43-4)

Guidance literature:

With triethylbenzylammonium ethanolate; at 20 - 25 ℃; for 1h;

Reference yield: 75.0%

triethylbenzylammonium ethanolate (95903-96-1) + 1-Iodohexane (638-45-9) → 1-hexene (592-41-6,25067-06-5) + ethyl n-hexyl ether (5756-43-4)

Guidance literature:

at 20 - 25 ℃; for 1h; Product distribution; other halogenoalkanes, other alkoxides and alcoholates; var. reaction conditions;

Reference yield: 20.0%

triethylsilane (617-86-7) + ethyl trimethylsilyl ether (1825-62-3) + hexanal (66-25-1) → diethyl ether (60-29-7,927820-24-4) + ethyl n-hexyl ether (5756-43-4) + Hexamethyldisiloxane (107-46-0) + dihexyl ether (112-58-3) + 1,1,1-triethyl-3,3,3-trimethyl-disiloxane (2652-41-7) + hexaethyl disiloxane (994-49-0)

Guidance literature:

With (pentamethylcyclopentadienyl)Ge(II)⁺B(ArF)₄^-; In dichloromethane-d2; Catalytic behavior;

DOI:10.1021/acs.oprd.0c00214

upstream raw materials:

sodium hexanolate

ethyl iodide

7,9-dioxa-8-methylpentadecane

triethylbenzylammonium ethanolate

Downstream raw materials:

ethyl bromide

1-bromo-hexane

1-hexene

Refernces

• 1、 Chistyakov,Zharova,Tsodikov,Nikolaev,Krotova,Ezzhelenko. "Conversion of ethanol into linear primary alcohols on gold, nickel, and gold–nickel catalysts". . p. 803 - 811. Retrieved 2016/12/07.
• 2、 Shavanov, S. S.,Tolstikov, G. A.,Shutenkova, T. V.,Ryabova, N. A.,Filippova, S. A.. "SYNTHESIS AND PROPERTIES OF TRIETHYLBENZYLAMMONIUM ALKOXIDES. REACTIVITY IN ELIMINATION AND NUCLEOPHILIC SUBSTITUTION REACTIONS". . p. 643 - 647. Retrieved 2007/10/02.