1-Butoxyhexane

Base Information

• Chemical Name: 1-Butoxyhexane
• CAS No.: 54459-71-1
• Molecular Formula: C10H22 O
• Molecular Weight: 158.284
• Hs Code.: 2909199090
• European Community (EC) Number: 259-172-2
• UNII: KQ3EHL2XVN
• DSSTox Substance ID: DTXSID9068958
• Nikkaji Number: J266.892K
• Wikidata: Q81995734
• Mol file: 54459-71-1.mol

Synonyms:1-Butoxyhexane;Hexane, 1-butoxy-;butyl hexyl ether;54459-71-1;KQ3EHL2XVN;EINECS 259-172-2;1-butoxy-hexane;5-oxahendecan;UNII-KQ3EHL2XVN;SCHEMBL127318;DTXSID9068958

Chemical Property of 1-Butoxyhexane

Chemical Property:

• Vapor Pressure: 1mmHg at 25°C
• Boiling Point: 184.4°C at 760 mmHg
• Flash Point: 55.6°C
• PSA: 9.23000
• Density: 0.791g/cm³
• LogP: 3.38340
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 61.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOCCCC

Technology Process of 1-Butoxyhexane

There total 8 articles about 1-Butoxyhexane 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: 82.0%

1-bromo-hexane (111-25-1) + butan-1-ol (71-36-3) → 1-butoxyhexane (54459-71-1)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; potassium carbonate; at 136 ℃; for 0.0138889h;

DOI:10.1080/00304949809355304

Reference yield: 16.0%

1-But-3-enyloxy-hexane → 1-butoxyhexane (54459-71-1) + C20H42MgO2

Guidance literature:

With magnesium hydride; zirconium(IV) chloride; In tetrahydrofuran; at 66 - 80 ℃;

Reference yield:

hexanal (66-25-1) + butan-1-ol (71-36-3) → 1-butoxyhexane (54459-71-1)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; at 140 ℃; for 0.025h; under 750.075 Torr; Flow reactor; Green chemistry;

DOI:10.1055/s-0036-1591861

upstream raw materials:

1-bromo-butane

hexan-1-ol

1-bromo-hexane

butan-1-ol

Downstream raw materials:

1-(6-Butoxy-hexyloxy)-4-ethyl-benzene

2,2,3,3,4,4,5,5-Octafluoro-tetrahydro-furan

perfluorooxane

tetradecafluorohexane

Refernces

• 1、 -. "PROCESS FOR MAKING A COMPOSITION COMPRISING AT LEAST TWO DIFFERENT DIALKYL ETHERS". Page/Page column 17. . Retrieved 2009/06/27.
• 2、 Angermund, Klaus,Bogdanovic, Borislav,Koppetsch, Gudrun,Krueger, Carl,Mynott, Richard,et al.. "Organomagnesium Inner Complexes, Part I. Bis(dialkylaminoalkyl)- and Bis(alkoxybutyl)magnesium Compounds". . p. 455 - 466. Retrieved 2007/10/02.