1,1-Diethoxyhexane

Base Information

• Chemical Name: 1,1-Diethoxyhexane
• CAS No.: 3658-93-3
• Molecular Formula: C10H22 O2
• Molecular Weight: 174.283
• Hs Code.: 2911000000
• European Community (EC) Number: 222-911-4
• UNII: GT39HPH5MZ
• DSSTox Substance ID: DTXSID0052045
• Nikkaji Number: J102.467A
• Wikidata: Q63395625
• Mol file: 3658-93-3.mol

Synonyms:1,1-Diethoxyhexane;3658-93-3;Hexane, 1,1-diethoxy-;hexanal diethyl acetal;Hexaldehyde Diethyl Acetal;Hexanal, diethyl acetal;HEXALDEHYDEDIETHYLACETAL;Aldehyde C-6 diethyl acetal;EINECS 222-911-4;Hexyl Aldehyde Diethyl Acetal;Hexylaldehyde diacetal;1,1-diethoxy-hexane;1,1 - diethoxyhexane;starbld0009599;n-Hexanal diethyl acetal;GT39HPH5MZ;SCHEMBL3380382;DTXSID0052045;MFCD00129692;AKOS006241771;FT-0627028;H1443;D91031;Q63395625

Chemical Property of 1,1-Diethoxyhexane

Chemical Property:

• Vapor Pressure: 0.804mmHg at 25°C
• Refractive Index: 1.4060-1.4100
• Boiling Point: 189°Cat760mmHg
• Flash Point: 43.8°C
• PSA: 18.46000
• Density: 0.843g/cm³
• LogP: 2.96580
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 77.9

Purity/Quality:

99% ^*data from raw suppliers

Hexanal Diethyl Acetal >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(OCC)OCC

Technology Process of 1,1-Diethoxyhexane

There total 10 articles about 1,1-Diethoxyhexane 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: 91.0%

ethanol (64-17-5) + hexanal (66-25-1) → 1,1-diethoxyhexane (3658-93-3)

Guidance literature:

With isopropyl alcohol; zirconium(IV) oxide;

DOI:10.1246/bcsj.61.3283

Reference yield: 91.0%

hexanal (66-25-1) → 1,1-dimethoxyhexane (1599-47-9) + 1,1-diethoxyhexane (3658-93-3)

Guidance literature:

In methanol; ethanol;

Reference yield:

1-hexene (592-41-6,25067-06-5) + ethanol (64-17-5) → 1,1-diethoxyhexane (3658-93-3)

Guidance literature:

With carbon monoxide; hydrogen; at 100 ℃; for 10h; under 30003 Torr; Autoclave; Green chemistry;

DOI:10.1007/s10562-020-03504-5

upstream raw materials:

ethanol

hexanal

Hexanoyl chloride

orthoformic acid triethyl ester

Downstream raw materials:

1,1,3-triethoxy-octane

2-diethoxymethyl-1,1-diethoxyhexane

1,1-diethoxy-oct-2-ene

deca-2,4-dienal

Refernces

• 1、 Zhang, Qi,Tiefenbacher, Konrad. "Hexameric resorcinarene capsule is a bronsted acid: Investigation and application to synthesis and catalysis". supporting information. p. 16213 - 16219. Retrieved 2013/11/19.
• 2、 De, Surya K.,Gibbs, Richard A.. "Ruthenium(III) chloride-catalyzed chemoselective synthesis of acetals from aldehydes". . p. 8141 - 8144. Retrieved 2007/10/03.