Decane

Base Information

• Chemical Name: Decane
• CAS No.: 124-18-5
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• Hs Code.: 29011090
• European Community (EC) Number: 204-686-4,615-915-6,682-389-2
• ICSC Number: 0428
• NSC Number: 8781
• UN Number: 2247
• UNII: NK85062OIY
• DSSTox Substance ID: DTXSID6024913
• Nikkaji Number: J2.505D
• Wikipedia: Decane
• Wikidata: Q150717
• Metabolomics Workbench ID: 5263
• ChEMBL ID: CHEMBL134537
• Mol file: 124-18-5.mol

Synonyms:decane

Chemical Property of Decane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 1 mm Hg ( 16.5 °C)
• Melting Point: -30 °C
• Refractive Index: n20/D 1.411(lit.)
• Boiling Point: 174.873 °C at 760 mmHg
• Flash Point: 46.111 °C
• PSA: 0.00000
• Density: 0.735 g/cm³
• LogP: 4.14700
• Storage Temp.: Flammables area
• Solubility.: 0.00005g/l
• Water Solubility.: INSOLUBLE
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 40
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98.5% ^*data from raw suppliers

Decane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N, F
• Hazard Codes: Xn,N,F
• Statements: 10-65-66-67-62-51/53-48/20-38-11
• Safety Statements: 62-23-16-61-36/37-33-29-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCCCCCCCC
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.
• Physical properties: Clear, colorless liquid. Reported odor threshold concentrations were 11.3 mg/m3 by Laffort and Dravnieks (1973) and 620 ppbv by Nagata and Takeuchi (1990).
• Uses: Internal standard in the GC analysis of oxalic, malonic, and succinic acids in biological materials. Decane is obtained mainly from the refining of petroleum. It is a component of engine fuel and is used in organic synthesis, as a solvent, as a standardized hydrocarbon, and in jet fuel research. Decane is a constituent in the paraffin fraction of petroleum and is also present in low concentrations as a component of gasoline. It is used as a solvent in organic synthesis reactions as a hydrocarbon standard in the manufacture of petroleum products, in the rubber industry, and in the paper processing industry, and as a constituent in polyolefin manufacturing wastes. Decane is a flammable liquid (at room temperature) that is lighter than water.

Technology Process of Decane

There total 319 articles about Decane 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: 85.0%

octylmagnesium bromide (17049-49-9) + (Z)-1,2-bis(ethylseleno)ethene (175538-67-7) → decane (124-18-5) + octadeca-9Z-ene (1779-13-1) + Hexadecane (544-76-3)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In diethyl ether; at 20 ℃; for 9h;

DOI:10.1016/S0022-328X(03)00179-7

Reference yield: 55.0%

10-chloro-1-decene (1002-70-6) → decane (124-18-5) + decyl chloride (1002-69-3)

Guidance literature:

With triethylsilane; 2,6-bis(benzimidazole-2'-yl)pyridine; bis(1,5-cyclooctadiene)diiridium(I) dichloride; at 150 ℃; for 12h;

DOI:10.1055/a-1527-4526

Reference yield: 27.0%

cyclopentene (142-29-0) → decane (124-18-5) + methylidenecyclobutane (1120-56-5) + bicyclo[2.1.0]pentane (185-94-4) + pentylcyclopentene (37689-14-8)

Guidance literature:

In pentane; Further byproducts given; Irradiation;

DOI:10.1246/cl.1982.1045

upstream raw materials:

ethyl bromide

octyl sodium

1,5-dibromo-pentane

dodecane

Downstream raw materials:

styrene

naphthalene

1,2-Dihydronaphthalene

2-Methylindene

Refernces

• 1、 Zook,Goldey. "-". . p. 3975,3976 Anm.b). Retrieved 1953.
• 2、 Creyghton, Edward J.,Grotenbreg, Robert A. W.,Downing, Roger S.,Van Bekkum, Herman. "Regioselective hydrogenation of alkenes over Pt-loaded zeolite BEA". . p. 871 - 877. Retrieved 1996.
• 3、 Wadhawan,Marken,Compton,Bull,Davies. "Sono-emulsion electrosynthesis: Electrode-insensitive Kolbe reactions". . p. 87 - 88. Retrieved 2001.
• 4、 van Tamelen et al.. "". . p. 481. Retrieved 1972.
• 5、 Rao Pendyala, Venkat Ramana,Shafer, Wilson D.,Jacobs, Gary,Martinelli, Michela,Sparks, Dennis E.,Davis, Burtron H.. "Fischer-Tropsch synthesis: effect of ammonia on product selectivities for a Pt promoted Co/alumina catalyst". . p. 7793 - 7800. Retrieved 2017.
• 6、 Morita, Tsuyoshi,Okamoto, Yoshiki,Sakurai, Hiroshi. "Chlorotrimethylsilane/Sodium Iodide/Zinc as a Simple and Convenient Reducing System: One-Pot Deoxygenation of Alcohols and Ethers". . p. 32 - 33. Retrieved 1981.
• 7、 Fraser, Craig,Tinnermann, Hendrik,Young, Rowan D.. "Zero valent iron complexes as base partners in frustrated Lewis pair chemistry". . p. 15184 - 15189. Retrieved 2020.
• 8、 Choi, Jaesung,Yoon, Nung Min. "An excellent nickel boride catalyst for the selective hydrogenation of olefins". . p. 597 - 599. Retrieved 1996.
• 9、 Tour, James M.,Cooper, Joel P.,Pendalwar, Shekhar L.. "Highly Selective Heterogeneous Palladium-Catalyzed Hydrogenations Using Triethoxysilane and Water". . p. 3452 - 3453. Retrieved 1990.
• 10、 Dupont, Jairton,Fonseca, Gledison S.,Umpierre, Alexandre P.,Fichtner, Paulo F. P.,Teixeira, Sergio R.. "Transition-metal nanoparticles in imidazolium ionic liquids: Recycable catalysts for biphasic hydrogenation reactions". . p. 4228 - 4229. Retrieved 2002.