1,1-Diethoxyoctane

Base Information

• Chemical Name: 1,1-Diethoxyoctane
• CAS No.: 54889-48-4
• Molecular Formula: C12H26O2
• Molecular Weight: 202.337
• Hs Code.: 2911000000
• European Community (EC) Number: 259-385-0
• NSC Number: 408319
• UNII: T6T180YN5R
• DSSTox Substance ID: DTXSID2068979
• Nikkaji Number: J99.670J
• Wikidata: Q63392184
• Mol file: 54889-48-4.mol

Synonyms:1,1-Diethoxyoctane;54889-48-4;Octanal diethyl acetal;Octane, 1,1-diethoxy-;n-Octanal diethyl acetal;1,1-diethoxy-octane;T6T180YN5R;EINECS 259-385-0;NSC 408319;NSC-408319;AI3-05099;n-OctanalDiethylAcetal;NSC408319;Octane,1-diethoxy-;C(OCC)(OCC)CCCCCCC;UNII-T6T180YN5R;OCTANAL, DIETHYL ACETAL;SCHEMBL3506995;DTXSID2068979;n-Octyl Aldehyde Diethyl Acetal;MFCD00672807;AKOS030228002;CS-0453530;O0427;D91870;Q63392184

Chemical Property of 1,1-Diethoxyoctane

Chemical Property:

• Vapor Pressure: 0.124mmHg at 25°C
• Refractive Index: 1.423
• Boiling Point: 226.2 °C at 760 mmHg
• Flash Point: 58 °C
• PSA: 18.46000
• Density: 0.844 g/cm³
• LogP: 3.74600
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193280068
• Heavy Atom Count: 14
• Complexity: 98.5

Purity/Quality:

99% ^*data from raw suppliers

n-Octanal Diethyl Acetal >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(OCC)OCC

Technology Process of 1,1-Diethoxyoctane

There total 12 articles about 1,1-Diethoxyoctane 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: 96.0%

Octanal (124-13-0) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxy-octane (54889-48-4)

Guidance literature:

With cerium triflate; In ethanol; at 20 ℃; for 0.0166667h;

DOI:10.1246/cl.2009.96

Reference yield: 91.0%

ethanol (64-17-5) + Octanal (124-13-0) → 1,1-diethoxy-octane (54889-48-4)

Guidance literature:

With 1,3-bis(3,5-bis(trifluoro-ethyl)phenyl)thiourea; orthoformic acid triethyl ester; at 25 ℃; for 14.3h;

DOI:10.1016/j.tet.2005.09.079

Reference yield: 88.0%

orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxy-octane (54889-48-4)

Guidance literature:

In tetrahydrofuran; at -20 ℃; for 0.5h;

DOI:10.1016/0040-4039(84)80011-8

upstream raw materials:

ethanol

2,4,6-triheptyl-1,3,5-trioxane

1,1-diethoxy-oct-3-yne

Octanal

Downstream raw materials:

1,1-dimethoxyoctane

ethanol

1-Ethoxy-1-methoxy-octane

Octanal

Refernces

• 1、 Taketoshi,Ishida,Murayama, Toru,Honma, Tetsuo,Haruta, Masatake. "Oxidative esterification of aliphatic aldehydes and alcohols with ethanol over gold nanoparticle catalysts in batch and continuous flow reactors". . . Retrieved 2019/08/26.
• 2、 -. "Organometallic complex, organometallic complex-containing composition, light-emitting material, organic electroluminescent element material, organic electroluminescent element, and an organic EL display EL lighting org.". Paragraph 0145. . Retrieved 2018/12/01.