Dodecane

Base Information

• Chemical Name: Dodecane
• CAS No.: 112-40-3
• Molecular Formula: C12H26
• Molecular Weight: 170.338
• Hs Code.: 2901100000
• European Community (EC) Number: 203-967-9
• NSC Number: 8714
• UN Number: 1993
• UNII: 11A386X1QH
• DSSTox Substance ID: DTXSID0026913
• Nikkaji Number: J1.995J
• Wikipedia: Dodecane
• Wikidata: Q150744
• RXCUI: 1314271
• Metabolomics Workbench ID: 4709
• ChEMBL ID: CHEMBL30959
• Mol file: 112-40-3.mol

Synonyms:dodecane;n-dodecane

Chemical Property of Dodecane

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: -9.6 °C(lit.)
• Refractive Index: n20/D 1.421(lit.)
• Boiling Point: 216.1 °C at 760 mmHg
• Flash Point: 71.1 °C
• PSA: 0.00000
• Density: 0.751 g/cm³
• LogP: 4.92720
• Water Solubility.: <0.1 g/100 mL at 25℃
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 170.203450829
• Heavy Atom Count: 12
• Complexity: 56.4
• Transport DOT Label: Combustible Liquid

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R65:; R66:
• Safety Statements: S36:; S60:; S62:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCC

Technology Process of Dodecane

There total 369 articles about Dodecane 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: 51.0%

2-methyl-2-octyl hypochlorite (82014-26-4) → 2,2-dimethyl-5-propyl-tetrahydro-furan (68705-91-9) + dodecane (112-40-3) + 1-Chlorohexane (544-10-5) + 5-Chloro-2-methyl-octan-2-ol (82004-71-5)

Guidance literature:

With sodium hydrogencarbonate; iron(II) sulfate; In tetrachloromethane; Further byproducts given; Ambient temperature; in the dark;

DOI:10.1016/0040-4020(81)85021-1

Reference yield: 8.59%

tri(octadecyl)aluminium (3041-23-4) + ethene (74-85-1) + trioctylaluminum (1070-00-4) → octane (111-65-9) + decane (124-18-5) + dodecane (112-40-3) + icosane (112-95-8) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + hexane (110-54-3) + tetradecane (629-59-4) + Hexadecane (544-76-3) + octadecane (593-45-3) + tetracosane (646-31-1) + octacosane (630-02-4) + n-triacontane (638-68-6)

Guidance literature:

tri(octadecyl)aluminium; ethene; trioctylaluminum; In toluene; at 20 - 116 ℃; for 2.33333h; under 26252.6 - 42004.2 Torr;

With sulfuric acid; water; at 40 ℃;

Reference yield:

3-trimethylsilyloxy-2-pentene (17510-47-3) + isobutyryl chloride (79-30-1) → dodecane (112-40-3) + 2,4-dimethyl-heptane-3,5-dione (37484-68-7) + diethyl ketone enol isobutyrate (83710-44-5)

Guidance literature:

With zinc(II) chloride; In diethyl ether; dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jo00147a011

upstream raw materials:

lauric acid

diethyl ether

di-tert-butyl peroxide

n-hexylmagnesium bromide

Downstream raw materials:

1,12-dichlorododecane

1,2-dichlorododecane

1,1-dichlorododecane

1-chlorododecane

Refernces

• 1、 Fujita, Kazuya,Yorimitsu, Hideki,Oshima, Koichiro. "Development of radical reactions with zirconocene complexes as electron transfer reagents". . p. 1727 - 1736. Retrieved 2004.
• 2、 Heeney, Martin,Bailey, Clare,Giles, Mark,Shkunov, Maxim,Sparrowe, David,Tierney, Steve,Zhang, Weimin,McCulloch, Iain. "Alkylidene fluorene liquid crystalline semiconducting polymers for organic field effect transistor devices". . p. 5250 - 5256. Retrieved 2004.
• 3、 Ohsawa, Tomihiko,Kobayashi, Takao,Mizuguchi, Yuko. "DISSOLVING METAL REDUCTION WITH CROWN ETHER----- REDUCTIVE DECYANATION". . p. 6103 - 6106. Retrieved 1985.
• 4、 Rieke,Thakur,Roberts,White. "Fatty methyl ester hydrogenation to fatty alcohol Part II: Process issues". . p. 341 - 345. Retrieved 1997.
• 5、 Fukuyama, Takahide,Kobayashi, Masahide,Rahman, Md Taifur,Kamata, Naoya,Ryu, Llhyong. "Spurring radical reactions of organic halides with tin hydride and TTMSS using microreactors". . p. 533 - 536. Retrieved 2008.
• 6、 Lochmann, L.. "Interactions of alkoxides. XVII. Properties of complex bases from organolithium compounds and various sodium alkoxides affected by the structure and concentration of the alkoxide". . p. 1 - 6. Retrieved 1989.
• 7、 Campbell et al.. "-". . p. 2735. Retrieved 1950.
• 8、 Sun, Linhao,Mellah, Mohamed. "Efficient electrosynthesis of SmCl2, SmBr2, and Sm(OTf)2 from a "Sacrificial" Samarium anode: Effect of nBu4NPF6 on the reactivity". . p. 4625 - 4628. Retrieved 2014.
• 9、 Clive, Derrick L. J.,Yang, Wen. "A Nitrogen-Containing Stannane for Free Radical Chemistry". . p. 2607 - 2609. Retrieved 1995.
• 10、 Fujita,Nakamura,Yorimitsu,Oshima. "Triethylborane-induced radical reaction with Schwartz reagent". . p. 3137 - 3138. Retrieved 2001.