Ethyl tridecanoate

Base Information

• Chemical Name: Ethyl tridecanoate
• CAS No.: 28267-29-0
• Molecular Formula: C15H30 O2
• Molecular Weight: 242.402
• Hs Code.: 2915 90 70
• European Community (EC) Number: 248-929-2
• DSSTox Substance ID: DTXSID8067369
• Nikkaji Number: J115.180K
• Wikidata: Q81993950
• Mol file: 28267-29-0.mol

Synonyms:Ethyl tridecanoate;28267-29-0;Tridecanoic acid ethyl ester;Tridecanoic acid, ethyl ester;Ethyltridecanoate;EINECS 248-929-2;AI3-36610;Ethyl=tridecanoate;MFCD00008978;Tridecanoic acid,ethyl ester;Ethyl tridecanoate, >=99%;n-Tridecanoic acid ethyl ester;SCHEMBL1645398;DTXSID8067369;CHEBI:172102;AKOS015839776;HY-W127439;CS-0185671;FT-0626247;T0959;D92425;A819395;Tridecanoic acid, 1,1'-((1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)) ester

Chemical Property of Ethyl tridecanoate

Chemical Property:

• Vapor Pressure: 0.00176mmHg at 25°C
• Melting Point: 19°C (estimate)
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 293.1°Cat760mmHg
• Flash Point: 127.1°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.86050
• Storage Temp.: −20°C
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

Tridecanoic Acid Ethyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(=O)OCC
• Uses: Ethyl Tridecanoate, also known as Tridecanoic acid Ethyl ester is a product in category Ethyl Esters. It is the ethyl ester of Tridecanoic Acid which is commonly found in dairy products. Tridecanoic Acid is used to synthesize Testosterone Tridecanoate.

Technology Process of Ethyl tridecanoate

There total 8 articles about Ethyl tridecanoate 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%

(E)-Tridec-2-enoic acid ethyl ester (671787-02-3) → ethyl tridecanoate (28267-29-0)

Guidance literature:

With 10% Pd/C; hydrogen; In ethanol; at 20 ℃;

DOI:10.2478/s11696-012-0245-0

Reference yield: 79.0%

dodecyl mesylate (51323-71-8) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → ethyl tridecanoate (28267-29-0)

Guidance literature:

With sodium iodide; dicobalt octacarbonyl; In various solvent(s); at 100 ℃; for 24h; under 38000 Torr;

DOI:10.1016/0040-4039(91)80697-5

Reference yield: 71.0%

1-bromo dodecane (112-29-8) + ethyl acrylate (140-88-5,9003-32-1) → ethyl tridecanoate (28267-29-0)

Guidance literature:

With Karstedt’s catalyst; water; zinc; In acetonitrile; at 80 ℃; for 12h;

DOI:10.1021/jo052065w

upstream raw materials:

1-dodecene

ethanol

tridecanenitrile

dodecyl mesylate

Downstream raw materials:

1-bromotridecane

n-tridecyltriphenylphosphonium bromide

1-iodotridecane

n-hexacosane