Pentacontane

Base Information

• Chemical Name: Pentacontane
• CAS No.: 6596-40-3
• Molecular Formula: C50H102
• Molecular Weight: 703.36
• Hs Code.: 2901100000
• European Community (EC) Number: 229-534-4
• DSSTox Substance ID: DTXSID70216171
• Nikkaji Number: J208.900I
• Wikidata: Q11337546
• Mol file: 6596-40-3.mol

Synonyms:Pentacontane;6596-40-3;n-Pentacontane;EINECS 229-534-4;Pentacontane, analytical standard;DTXSID70216171;Pentacontane, >=98.0% (GC);MFCD00042907;C50H102;C50-H102;FT-0747564;P0964;T72792;Q11337546

Chemical Property of Pentacontane

Chemical Property:

• Vapor Pressure: 8.98E-13mmHg at 25°C
• Melting Point: 94 °C
• Boiling Point: 578.4°C at 760 mmHg
• Flash Point: 507.6°C
• PSA: 0.00000
• Density: 0.823g/cm³
• LogP: 19.75100
• XLogP3: 26.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 47
• Exact Mass: 702.79815325
• Heavy Atom Count: 50
• Complexity: 488

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Technology Process of Pentacontane

There total 4 articles about Pentacontane 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:

diethyl ether (60-29-7,927820-24-4) + 1,10-dibromodecane (4101-68-2) → icosane (112-95-8) + n-triacontane (638-68-6) + n-tetracontane (4181-95-7) + n-pentaconatne (6596-40-3)

Guidance literature:

zuletzt in Dibutylaether;Produkt₅-6:Hexacontan,Heptacontan;

Reference yield:

1,10-dibromodecane (4101-68-2) → n-pentaconatne (6596-40-3)

Guidance literature:

With diethyl ether; sodium;

Reference yield:

1,10-Decanediol (112-47-0) → n-pentaconatne (6596-40-3)

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:

1,10-dibromodecane

diethyl ether

1,10-Decanediol

diethyl sebacate