Heneicosane

Base Information

• Chemical Name: Heneicosane
• CAS No.: 629-94-7
• Molecular Formula: C21H44
• Molecular Weight: 296.58
• Hs Code.: 29011000
• European Community (EC) Number: 211-118-9
• UNII: I93S5U5DMP
• DSSTox Substance ID: DTXSID9047097
• Nikkaji Number: J1.706J
• Wikipedia: Heneicosane
• Wikidata: Q150955
• Metabolomics Workbench ID: 5267
• Mol file: 629-94-7.mol

Synonyms:n-heneicosane

Chemical Property of Heneicosane

Chemical Property:

• Appearance/Colour: white waxy solid
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: 39-41 °C(lit.)
• Refractive Index: 1.4352 (589.3 nm 45℃)
• Boiling Point: 100 °C2 mm Hg(lit.)
• Flash Point: 113 C (closed cup)
• PSA: 0.00000
• Density: 0,792 g/cm3
• LogP: 8.43810
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Hexane
• XLogP3: 11
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 296.344301404
• Heavy Atom Count: 21
• Complexity: 143

Purity/Quality:

99.5% ^*data from raw suppliers

Heneicosane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCC
• Uses: Heneicosane is a long chain saturated aliphatic hydrocarbon found in coal tars and fossil organic matter. Heneicosane has a high flashpoint which makes it an inefficient fuel for use in the petrochemical industry. Heneicosane is usually present in the form of paraffin wax.

Technology Process of Heneicosane

There total 33 articles about Heneicosane 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: 90.0%

[1-decyl-1-(toluene-4-sulfonyl)-undecyl]-methylene-amine → heneicosane (629-94-7)

Guidance literature:

With ammonia; lithium; In diethyl ether; ethanol; at -33 - 20 ℃; for 2h;

DOI:10.1080/00397919809458706

Reference yield: 87.0%

C28H50N2O2S → heneicosane (629-94-7)

Guidance literature:

C₂₈H₅₀N₂O₂S; With diisobutylaluminium hydride; In hexane; dichloromethane; at 0 ℃; for 0.5h;

With sodium hydroxide; In water; Further stages.;

DOI:10.1021/jo0263061

Reference yield: 84.0%

5,5-(dodecane-1,1-diyl)bis(2-pentylfuran) → heneicosane (629-94-7) + 10-nonylhenicosane

Guidance literature:

With hydrogen; In cyclohexane; at 170 ℃; for 20h; Reagent/catalyst;

DOI:10.1021/acscatal.9b02693

upstream raw materials:

henicosan-4-one

heneicosan-11-one

11-methylselanyl-heneicosane

11-bromo-heneicos-10-ene

Refernces

• 1、 Liu, Sibao,Zheng, Weiqing,Fu, Jiayi,Alexopoulos, Konstantinos,Saha, Basudeb,Vlachos, Dionisios G.. "Molybdenum Oxide-Modified Iridium Catalysts for Selective Production of Renewable Oils for Jet and Diesel Fuels and Lubricants". . p. 7679 - 7689. Retrieved 2019/08/20.
• 2、 Huang, Zheng,Rolfe, Eleanor,Carson, Emily C.,Brookhart, Maurice,Goldman, Alan S,El-Khalafy, Sahar H.,Roy MacArthur, Amy H.. "Efficient heterogeneous dual catalyst systems for alkane metathesis". experimental part. p. 125 - 135. Retrieved 2010/06/20.