Tetracontane

Base Information

• Chemical Name: Tetracontane
• CAS No.: 4181-95-7
• Molecular Formula: C40H82
• Molecular Weight: 563.091
• Hs Code.: 29011000
• European Community (EC) Number: 224-055-7
• UNII: I79S9IXB9Y
• DSSTox Substance ID: DTXSID2063341
• Nikkaji Number: J192.726D
• Wikidata: Q151239
• Mol file: 4181-95-7.mol

Synonyms:TETRACONTANE;n-Tetracontane;4181-95-7;UNII-I79S9IXB9Y;I79S9IXB9Y;EINECS 224-055-7;AI3-36490;Tetracontane, analytical standard;DTXSID2063341;Tetracontane, >=95.0% (GC);(4-PHENOXYPHENOXY)ACETICACID;C40H82;MFCD00015267;LS-15432;FT-0767531;T72448;Q151239;C4F1723F-8A7B-4248-A951-73F06DE9834E

Chemical Property of Tetracontane

Chemical Property:

• Appearance/Colour: white powder or flaky solid
• Vapor Pressure: 0.86mmHg at 25°C
• Melting Point: 80-84 °C (lit.)
• Refractive Index: 1.488
• Boiling Point: 523.9 °C at 760 mmHg
• Flash Point: 407.7 °C
• PSA: 0.00000
• Density: 0.817 g/cm³
• LogP: 15.85000
• Storage Temp.: room temp
• Water Solubility.: Soluble in chloroform. Slightly soluble in methanol.Insoluble in water.
• XLogP3: 21.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 37
• Exact Mass: 562.64165262
• Heavy Atom Count: 40
• Complexity: 361

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tetracontane >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Uses: n-Tetracontane is used in a passivation layer in copper-phthalocyanine field-effect transistors for improving the charge carrier mobility and used to modify the quasi two-dimensional surface electron system on Au(111). Tetracontane is a long chain n-alkane that has been used as a prototype of linear polyethylene to understand the phase behavior of polymer solution.

Technology Process of Tetracontane

There total 5 articles about Tetracontane 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: 74.2%

1-iodoeicosane (34994-81-5) → n-tetracontane (4181-95-7)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; palladium dichloride; In methanol; for 6h; Heating;

DOI:10.1246/bcsj.54.3599

Reference yield:

1,10-dibromodecane (4101-68-2) → n-tetracontane (4181-95-7)

Guidance literature:

With diethyl ether; sodium;

Reference yield:

1,10-Decanediol (112-47-0) → n-tetracontane (4181-95-7)

Guidance literature:

Multi-step reaction with 2 steps

1: HBr / 95 °C / anschliessendes Erhitzen im HBr-Strom auf 135grad

2: sodium; diethyl ether

With diethyl ether; hydrogen bromide; sodium;

upstream raw materials:

1-iodoeicosane

1,10-dibromodecane

diethyl ether

1,10-Decanediol

Refernces