Ethyl 5-oxodecanoate

Base Information

• Chemical Name: Ethyl 5-oxodecanoate
• CAS No.: 93919-00-7
• Molecular Formula: C12H22 O3
• Molecular Weight: 214.305
• Hs Code.: 2918300090
• European Community (EC) Number: 299-982-3
• UNII: 46LCV03QA5
• DSSTox Substance ID: DTXSID50239888
• Nikkaji Number: J132.462D
• Wikidata: Q27258941
• Mol file: 93919-00-7.mol

Synonyms:Ethyl 5-oxodecanoate;93919-00-7;Decanoic acid, 5-oxo-, ethyl ester;UNII-46LCV03QA5;46LCV03QA5;EINECS 299-982-3;MFCD01320344;Ethyl5-oxodecanoate;5-Ketocapric acid ethyl ester;5-oxodecanoic acid ethyl ester;FEMA NO. 4457;SCHEMBL10412785;ZAHUTEIIIFGYHV-UHFFFAOYSA-;DTXSID50239888;AKOS016022952;Q27258941;InChI=1/C12H22O3/c1-3-5-6-8-11(13)9-7-10-12(14)15-4-2/h3-10H2,1-2H3

Chemical Property of Ethyl 5-oxodecanoate

Chemical Property:

• Vapor Pressure: 0.00153mmHg at 25°C
• Boiling Point: 295.3°C at 760 mmHg
• Flash Point: 124.5°C
• PSA: 43.37000
• Density: 0.943g/cm³
• LogP: 2.86920
• XLogP3: 2.3
• 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

Ethyl5-oxodecanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)CCCC(=O)OCC

Technology Process of Ethyl 5-oxodecanoate

There total 4 articles about Ethyl 5-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:

ethyl 2-(2-cyanoethyl)-3-oxooctanoate (872804-89-2) → ethyl 5-oxodecanoate (93919-00-7)

Guidance literature:

With sulfuric acid;

Reference yield:

ethyl 2-acetyl-3-oxooctanoate (60462-02-4) → ethyl 5-oxodecanoate (93919-00-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethylate; ethanol

2: sodium ethylate; ethanol; benzene

3: aq.-ethanolic sulfuric acid

With ethanol; sulfuric acid; sodium ethanolate; benzene;

Reference yield:

ethyl 3-oxooctanoate (10488-95-6) → ethyl 5-oxodecanoate (93919-00-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethylate; ethanol; benzene

2: aq.-ethanolic sulfuric acid

With ethanol; sulfuric acid; sodium ethanolate; benzene;

upstream raw materials:

ethyl 2-(2-cyanoethyl)-3-oxooctanoate

ethyl 2-acetyl-3-oxooctanoate

ethyl 3-oxooctanoate

Downstream raw materials:

2-butylylcyclohexane-1,3-dione