Decyl hexanoate

Base Information

• Chemical Name: Decyl hexanoate
• CAS No.: 52363-43-6
• Molecular Formula: C16H32 O2
• Molecular Weight: 256.429
• Hs Code.: 2915900090
• European Community (EC) Number: 257-873-8
• DSSTox Substance ID: DTXSID4068745
• Nikkaji Number: J115.078B
• Wikidata: Q81995509
• Metabolomics Workbench ID: 4085
• Mol file: 52363-43-6.mol

Synonyms:Decyl hexanoate;Decyl caproate;Hexanoic acid, decyl ester;52363-43-6;EINECS 257-873-8;WE(10:0/6:0);Decyl hexanoate #;Caproic acid decyl ester;hexanoic acid decyl ester;SCHEMBL7771323;DTXSID4068745;CHEBI:179736;LMFA07010440

Chemical Property of Decyl hexanoate

Chemical Property:

• Vapor Pressure: 0.000817mmHg at 25°C
• Boiling Point: 305.5°Cat760mmHg
• Flash Point: 139.8°C
• PSA: 26.30000
• Density: 0.865g/cm³
• LogP: 5.25060
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 256.240230259
• Heavy Atom Count: 18
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOC(=O)CCCCC

Technology Process of Decyl hexanoate

There total 3 articles about Decyl hexanoate 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: 62.0%

tributyl borane (122-56-5) + decyl 2,2-dichloroacetate (83005-00-9) → decyl hexanoate (52363-43-6)

Guidance literature:

With N,N-dimethyl acetamide; tetrabutylammomium bromide; In tetrahydrofuran; at 20 - 40 ℃; Electrolysis;

DOI:10.1016/j.jorganchem.2006.03.030

Reference yield:

1-Decanol (112-30-1) + hexanoic acid (142-62-1) → decyl hexanoate (52363-43-6)

Guidance literature:

With hydrogenchloride;

Reference yield:

1-Decyloxymethylpyridinium-chlorid (13501-48-9) + hexanoic acid (142-62-1) → decyl hexanoate (52363-43-6)

Guidance literature:

at 150 - 160 ℃;

DOI:10.1007/BF02900615

upstream raw materials:

1-Decanol

hexanoic acid

1-Decyloxymethylpyridinium-chlorid

tributyl borane

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