Ethyl 6-oxodecanoate

Base Information

• Chemical Name: Ethyl 6-oxodecanoate
• CAS No.: 4144-61-0
• Molecular Formula: C12H22O3
• Molecular Weight: 214.305
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID60453871
• Nikkaji Number: J132.467E
• Wikidata: Q82275148
• Mol file: 4144-61-0.mol

Synonyms:ethyl 6-oxodecanoate;4144-61-0;MFCD01320342;ETHYL6-OXODECANOATE;6-oxo-decanoic acid ethyl ester;6-Ketocapric acid ethyl ester;SCHEMBL1037482;DTXSID60453871;ABYZTYKKLSUMLT-UHFFFAOYSA-N;AKOS016022941

Chemical Property of Ethyl 6-oxodecanoate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 299.432oC at 760 mmHg
• Flash Point: 126.671oC
• PSA: 43.37000
• Density: 0.943g/cm3
• LogP: 2.86920
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Ethyl6-oxodecanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)CCCCC(=O)OCC

Technology Process of Ethyl 6-oxodecanoate

There total 1 articles about Ethyl 6-oxodecanoate 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: 8.0%

1-iodo-butane (542-69-8) + Hexanedioic acid ethyl ester 6-(2-methoxy-ethyl)-pyridin-2-yl ester (78437-79-3) → adipinic acid monoethyl ester (626-86-8) + 6-oxo-decanoic acid ethyl ester (4144-61-0)

Guidance literature:

With nickel dichloride; zinc; In N,N-dimethyl-formamide; at 50 ℃; for 5h;

DOI:10.1246/cl.1981.531

Reference yield:

6-oxo-decanoic acid ethyl ester (4144-61-0) + methylzinc iodide (18815-73-1) → 6-methyldecanoic acid (53696-14-3)

Guidance literature:

With diethyl ether; Erhitzen des Reaktionsprodukts mit wenig Jod bis auf 180grad, anschliessenden Hydrieren an Palladium in Aethanol und Erwaermen des Reaktionsgemisches mit aethanol.Kalilauge;

Reference yield:

6-oxo-decanoic acid ethyl ester (4144-61-0) → ethyl 6-hydroxydecanoate (4066-97-1)

Guidance literature:

With hydrogen; nickel; In ethanol; at 120 ℃; under 36775.4 Torr;

upstream raw materials:

1-iodo-butane

Hexanedioic acid ethyl ester 6-(2-methoxy-ethyl)-pyridin-2-yl ester

Downstream raw materials:

6-methyldecanoic acid

ethyl 6-hydroxydecanoate

Refernces