HEXACONTANE

Base Information

• Chemical Name: HEXACONTANE
• CAS No.: 7667-80-3
• Molecular Formula: C60H122
• Molecular Weight: 843.629
• Hs Code.: 2901100000
• European Community (EC) Number: 231-643-7
• DSSTox Substance ID: DTXSID00227472
• Nikkaji Number: J192.714K
• Wikidata: Q20890380
• Mol file: 7667-80-3.mol

Synonyms:Hexacontane;

Chemical Property of HEXACONTANE

Chemical Property:

• Vapor Pressure: 1.22E-14mmHg at 25°C
• Melting Point: 96-100oC(lit.)
• Refractive Index: 1.4914 (estimate)
• Boiling Point: 620.2°C at 760 mmHg
• Flash Point: 604°C
• PSA: 0.00000
• Density: 0.827g/cm³
• LogP: 23.65200
• Storage Temp.: Refrigerator
• Solubility.: Dichloromethane (Slightly, Heated), Toluene (Slightly, Heated)
• XLogP3: 32.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 57
• Exact Mass: 842.95465389
• Heavy Atom Count: 60
• Complexity: 622

Purity/Quality:

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

HEXACONTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Uses: Hexacontane is used in the extraction of Arbutus unedo which is a strawberry tree.

Technology Process of HEXACONTANE

There total 3 articles about HEXACONTANE 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:

1,10-dibromodecane (4101-68-2) → n-hexacontane (7667-80-3)

Guidance literature:

With diethyl ether; sodium;

Reference yield:

1,10-Decanediol (112-47-0) → n-hexacontane (7667-80-3)

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;

Reference yield:

diethyl sebacate (110-40-7) → n-hexacontane (7667-80-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium; ethanol

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

3: sodium; diethyl ether

With diethyl ether; ethanol; hydrogen bromide; sodium;

upstream raw materials:

1,10-dibromodecane

1,10-Decanediol

diethyl sebacate