Octacosane

Base Information

• Chemical Name: Octacosane
• CAS No.: 630-02-4
• Molecular Formula: C28H58
• Molecular Weight: 394.769
• Hs Code.: 2901.10 PRICE
• European Community (EC) Number: 211-125-7
• NSC Number: 5549
• UN Number: 1325
• UNII: VFF49836P8
• DSSTox Substance ID: DTXSID6058639
• Nikkaji Number: J528B
• Wikidata: Q3348776
• Metabolomics Workbench ID: 5275
• Mol file: 630-02-4.mol

Synonyms:octacosane

Chemical Property of Octacosane

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: 61 - 64 C
• Refractive Index: 1.449
• Boiling Point: 440 C
• Flash Point: 227 ºC
• PSA: 0.00000
• Density: 0.804g/cm³
• LogP: 11.16880
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in chloroform, acetone, benzene, and toluene. Insoluble in water.
• XLogP3: 14.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 25
• Exact Mass: 394.453851850
• Heavy Atom Count: 28
• Complexity: 218
• Transport DOT Label: Flammable Solid

Purity/Quality:

99% ^*data from raw suppliers

Octacosane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: UN NO.
• 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: CCCCCCCCCCCCCCCCCCCCCCCCCCCC

Technology Process of Octacosane

There total 29 articles about Octacosane 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: 73.0%

9-octyl-9-bora-bicyclo[3.3.1]nonane (30089-00-0) + dodecane-1,12-diyl bis(4-methylbenzenesulfonate) (36247-34-4) → octacosane (630-02-4)

Guidance literature:

With palladium diacetate; sodium hydroxide; methyldi-t-butylphosphine; In 1,4-dioxane; at 50 ℃;

DOI:10.1002/1521-3773(20021018)41:20<3910::AID-ANIE3910>3.0.CO;2-W

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: 11.0%

1-iodotetradecane (19218-94-1) → 1-tetradecene (1120-36-1) + tetradecane (629-59-4) + octacosane (630-02-4) + 1-tetradecanol methyl ether (7388-90-1)

Guidance literature:

With sodium hydroxide; palladium dichloride; In methanol; for 6h; Product distribution; Heating; var. reducing agents, other organic halides;

DOI:10.1246/bcsj.54.3599

upstream raw materials:

formaldehyd

tetradecylmagnesium bromide

diethyl ether

boric acid tributyl ester

Downstream raw materials:

octacosane-d58

carbon dioxide

1-octadecanol

n-eicosanol

Refernces

• 1、 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.
• 2、 Netherton, Matthew R,Fu, Gregory C. "Suzuki cross-couplings of alkyl tosylates that possess beta hydrogen atoms: synthetic and mechanistic studies.". . p. 3910 - 3912. Retrieved 2007/10/03.