7-Oxodecanoic acid

Base Information

• Chemical Name: 7-Oxodecanoic acid
• CAS No.: 35383-65-4
• Molecular Formula: C10H18O3
• Molecular Weight: 186.24800
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50956801
• Nikkaji Number: J206.116C
• Wikidata: Q82936911
• Metabolomics Workbench ID: 1588
• Mol file: 35383-65-4.mol

Synonyms:7-Oxodecanoic acid;35383-65-4;7-oxo-decanoic acid;MFCD01320170;7-OXODECANOICACID;7-Ketocapric acid;LMFA01060081;SCHEMBL7778501;DTXSID50956801;CHEBI:180139;AKOS006277891

Chemical Property of 7-Oxodecanoic acid

Chemical Property:

• Vapor Pressure: 2.02E-05mmHg at 25°C
• Melting Point: 64 °C
• Boiling Point: 337oC at 760 mmHg
• PKA: 4.74±0.10(Predicted)
• Flash Point: 171.8oC
• PSA: 54.37000
• Density: 1.004g/cm3
• LogP: 2.39070
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

7-Oxodecanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 7-Oxodecanoic acid

There total 11 articles about 7-Oxodecanoic acid 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:

1-decanoic acid (334-48-5) + trifluoroacetic acid (76-05-1) → 9-oxodecanoic acid (1422-26-0) + 7-oxo-decanoic acid (35383-65-4) + 8-oxodecanoic acid (3006-51-7)

Guidance literature:

With tert-butylammonium hexafluorophosphate(V); In dichloromethane; Yield given. Yields of byproduct given;

Reference yield:

1-decanoic acid (334-48-5) → 9-oxodecanoic acid (1422-26-0) + 6-oxodecanoic acid (4144-60-9) + 7-oxo-decanoic acid (35383-65-4) + 8-oxodecanoic acid (3006-51-7) + 4-oxodecanoic acid (4144-54-1) + 5-oxodecanoic acid (624-01-1)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; Product distribution; Ambient temperature; other fatty acids and γ-, δ-decanolactones;

Reference yield:

butanoyl cyclohexane (1462-27-7) → 7-oxo-decanoic acid (35383-65-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01116a042

upstream raw materials:

butanoyl cyclohexane

2-Butyryl-pimelinsaeure-diethylester

2-butyrylcyclohexanone

Ethyl 7-oxodecanoate