1,1-Diethoxynonane

Base Information

• Chemical Name: 1,1-Diethoxynonane
• CAS No.: 54815-13-3
• Molecular Formula: C13H28O2
• Molecular Weight: 216.364
• Hs Code.: 2911000000
• European Community (EC) Number: 259-360-4
• DSSTox Substance ID: DTXSID7068976
• Nikkaji Number: J105.334E
• Wikidata: Q63399286
• Mol file: 54815-13-3.mol

Synonyms:1,1-Diethoxynonane;Nonanal diethyl acetal;54815-13-3;Nonane, 1,1-diethoxy-;EINECS 259-360-4;Nonanaldiethylacetal;1,1-Diethoxynonane #;n-Nonanal diethyl acetal;1,1-Diethoxy-n-nonane;Nonyl Aldehyde Diethyl Acetal;SCHEMBL3506094;DTXSID7068976;MFCD00672806;AKOS015838756;CS-0453520;N0956;Q63399286

Chemical Property of 1,1-Diethoxynonane

Chemical Property:

• Vapor Pressure: 0.0534mmHg at 25°C
• Refractive Index: 1.426
• Boiling Point: 242.2 °C at 760 mmHg
• Flash Point: 63.1 °C
• PSA: 18.46000
• Density: 0.844 g/cm³
• LogP: 4.13610
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 216.208930132
• Heavy Atom Count: 15
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(OCC)OCC

Technology Process of 1,1-Diethoxynonane

There total 20 articles about 1,1-Diethoxynonane 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: 97.0%

nonan-1-al (124-19-6) + triethoxyantimony (873376-62-6) → pelargonaldehyde diethyl acetal (54815-13-3)

Guidance literature:

With allyl bromide; at 80 ℃; for 2h;

DOI:10.1039/c39900000493

Reference yield: 82.0%

oct-1-ene (111-66-0,25068-25-1) + orthoformic acid triethyl ester (122-51-0) → pelargonaldehyde diethyl acetal (54815-13-3) + 1,1-diethoxy-2-methyl-octane

Guidance literature:

With carbon monoxide; hydrogen; triphenyl phosphite; ; at 84 ℃; for 0.5h; under 3750.3 Torr; Title compound not separated from byproducts;

DOI:10.1016/0022-328X(95)05594-F

Reference yield: 9.0%

nonan-1-al (124-19-6) + ethanol (64-17-5) → pelargonaldehyde diethyl acetal (54815-13-3)

Guidance literature:

With boron trifluoride diethyl etherate; Inert atmosphere; Reflux;

DOI:10.3987/COM-08-S(N)64

upstream raw materials:

nonan-1-al

ethanol

5-butyl-thiophene-2-carbaldehyde-diethylacetal

1-bromo-hexane

Downstream raw materials:

nonanal (2,4-dinitrophenyl)hydrazone

1-ethoxy-1-phenylthiononane

1-ethoxy-non-1-ene

5-Heptylpyrimidine-2-carboxylic acid