5-Decanone

Base Information

• Chemical Name: 5-Decanone
• CAS No.: 820-29-1
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• European Community (EC) Number: 212-469-0
• NSC Number: 244937
• UNII: M5DF2T095S
• DSSTox Substance ID: DTXSID60231510
• Nikkaji Number: J121.767D
• Wikidata: Q29957062
• Mol file: 820-29-1.mol

Synonyms:5-DECANONE;Decan-5-one;820-29-1;M5DF2T095S;EINECS 212-469-0;NSC-244937;AI3-19946;decanone;butyl pentyl ketone;NSC244937;5-Decanone, AldrichCPR;PENTYL BUTYL KETONE;UNII-M5DF2T095S;SCHEMBL493672;DTXSID60231510;MFCD00053805;AKOS015843195;NSC 244937;F87415

Chemical Property of 5-Decanone

Chemical Property:

• Vapor Pressure: 0.211mmHg at 25°C
• Melting Point: -9.2°C
• Refractive Index: 1.4244 (estimate)
• Boiling Point: 208.7°C at 760 mmHg
• Flash Point: 67.7°C
• PSA: 17.07000
• Density: 0.819g/cm³
• LogP: 3.32600
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 97

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCCCCC(=O)CCCC

Technology Process of 5-Decanone

There total 73 articles about 5-Decanone 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: 99.0%

decan-5-ol (5205-34-5) → decan-5-one (820-29-1)

Guidance literature:

With dihydrogen peroxide; In water; tert-butyl alcohol; at 80 ℃; for 12h;

DOI:10.1021/ol101839m

Reference yield: 91.0%

4-Octyne (1942-45-6) + hexanal (66-25-1) → decan-5-one (820-29-1)

Guidance literature:

With 3-methylpyridin-2-ylamine; Wilkinson's catalyst; cyclohexylamine; aluminium trichloride; In toluene; at 130 ℃; for 12h;

DOI:10.1021/ja034337n

Reference yield: 91.0%

n-butyllithium (109-72-8,29786-93-4) + Ethyl hexanoate (123-66-0) → decan-5-one (820-29-1)

Guidance literature:

Ethyl hexanoate; With morpholine; diisobutylaluminium hydride; In tetrahydrofuran; hexane; at 0 ℃; for 3.16667h; Inert atmosphere;

n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1016/j.tet.2014.03.045

upstream raw materials:

1-iodo-butane

5-decyne

amyl iodide

decan-5-ol

Downstream raw materials:

decan-5-ol

di(-)menthyl 1-butylhexylidenemalonate

propionic acid

hexanoic acid

Refernces

• 1、 Park, Kwihwan,Jiang, Jing,Yamada, Tsuyoshi,Sajiki, Hironao. "Ruthenium-on-Carbon-Catalyzed Facile Solvent-Free Oxidation of Alcohols: Efficient Progress under Solid-Solid (Liquid)-Gas Conditions". . p. 1200 - 1205. Retrieved 2021/12/29.
• 2、 Weerasiri, Kushan C.,Chen, Danmin,Wozniak, Derek I.,Dobereiner, Graham E.. "Internal Alkyne Regio- and Chemoselectivity using a Zwitterionic N-Heterocyclic Carbene Gold Catalyst in a Silver-Free Alkyne Hydration Reaction". . p. 4106 - 4113. Retrieved 2016/12/30.