N-EICOSANE

Base Information

• Chemical Name: N-EICOSANE
• CAS No.: 112-95-8
• Deprecated CAS: 860208-83-9
• Molecular Formula: C20H42
• Molecular Weight: 282.553
• Hs Code.: 29011000
• European Community (EC) Number: 204-018-1
• NSC Number: 62789
• UNII: 3AYA9KEC48
• DSSTox Substance ID: DTXSID1025227
• Nikkaji Number: J1.999B
• Wikipedia: Icosane,Eicosane
• Wikidata: Q150925
• Metabolomics Workbench ID: 5266
• Mol file: 112-95-8.mol

Synonyms:Eicosane-4-C12;NSC 62789;n-Eicosane;

Chemical Property of N-EICOSANE

Chemical Property:

• Appearance/Colour: Colourless crystals or wax-like solid
• Vapor Pressure: 0.00014mmHg at 25°C
• Melting Point: 35-37 °C(lit.)
• Refractive Index: 1.4425
• Boiling Point: 343.4 °C at 760 mmHg
• Flash Point: 186.5 °C
• PSA: 0.00000
• Density: 0.787 g/cm³
• LogP: 8.04800
• Storage Temp.: Store below +30°C.
• Solubility.: hexane: soluble100mg/mL, clear
• Water Solubility.: Soluble in ether, petroleum ether and benzene. Slightly soluble in acetone and chloroform. Insoluble in water.
• XLogP3: 10.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 17
• Exact Mass: 282.328651340
• Heavy Atom Count: 20
• Complexity: 132

Purity/Quality:

98%min ^*data from raw suppliers

Eicosane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC
• Uses: Eicosane is a long chain saturated aliphatic hydrocarbon. Eicosane has a high flashpoint which makes it an inefficient fuel for use in the petrochemical industry. Eicosane is used to form candles and paraffin waxes with solar energy storage capacity. n-Eicosane is a saturated aliphatic hydrocarbon, which is used to form candles and paraffin waxes with solar energy storage capacity. It is also used in cosmetics, lubricants, plasticizers and in the petrochemical industry. Further, it is useful for special surfactants and in the preparation of certain organic chemicals. In addition to this, it is used as a chromatographic analysis reference material.

Technology Process of N-EICOSANE

There total 84 articles about N-EICOSANE 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%

n-decyl magnesium bromide (17049-50-2) + benzophenone N-methyl-N,N-pentane-1,5-diylhydrazonium iodide (13134-23-1) → N-methylcyclohexylamine (626-67-5) + Benzophenone imine (1013-88-3) + decane (124-18-5) + icosane (112-95-8) + 1-Decene (872-05-9,17438-89-0,25189-70-2)

Guidance literature:

In diethyl ether; Product distribution; Mechanism; Heating; other quaternary hydrazonium salts, other alkylmagnesium halides;

DOI:10.1021/jo00248a011

Reference yield: 22.54%

→ icosane (112-95-8) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + octadecane (593-45-3) + tetracosane (646-31-1) + octacosane (630-02-4) + n-triacontane (638-68-6)

Guidance literature:

With triisobutylaluminum; at 110 - 130 ℃; for 13h; Product distribution / selectivity;

Reference yield: 10.19%

tri(octadecyl)aluminium (3041-23-4) + ethene (74-85-1) → icosane (112-95-8) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + octadecane (593-45-3) + tetracosane (646-31-1) + octacosane (630-02-4) + n-triacontane (638-68-6)

Guidance literature:

tri(octadecyl)aluminium; ethene; In toluene; at 20 - 116 ℃; for 2 - 3h; under 17851.8 - 42004.2 Torr;

With sulfuric acid; water; at 40 ℃; Product distribution / selectivity;

upstream raw materials:

1,5-dibromo-pentane

2-hexadecylthiophene

1,10-diiododecane

1-iodoeicosane

Downstream raw materials:

1-octadecanol

n-eicosanol

melissyl alcohol

1-docosanol

Refernces

• 1、 Bergbreiter, David E.,Killough, James M.. "Polymer-bound Alkali Metal Aromatic Radical Anions". . p. 319 - 320. Retrieved 1980.
• 2、 Tilquin, B.,Baudson, Th.. "Type of Alkyl Radical Formed by H Atom Abstraction in the Radiolysis of Solid Alkanes". . p. 844 - 845. Retrieved 1988.
• 3、 Sondheimer,F.,Gaoni,Y.. "-". . p. 3520 - 3526. Retrieved 1962.
• 4、 Cai, Yingxiao,Qian, Xin,Gosmini, Corinne. "Cobalt-Catalyzed Csp3?Csp3Homocoupling". supporting information. p. 2427 - 2430. Retrieved 2016/08/16.
• 5、 Afri, Michal,Alexenberg, Carmit,Aped, Pinchas,Bodner, Efrat,Cohen, Sarit,Ejgenburg, Michal,Eliyahu, Shlomi,Gilinsky-Sharon, Pessia,Harel, Yifat,Naqqash, Miriam E.,Porat, Hani,Ranz, Ayala,Frimer, Aryeh A.. "NMR-based molecular ruler for determining the depth of intercalants within the lipid bilayer. Part III: Studies on keto esters and acids". . p. 105 - 118. Retrieved 2015/02/19.