Dotriacontanol

Base Information

• Chemical Name: Dotriacontanol
• CAS No.: 6624-79-9
• Molecular Formula: C32H66O
• Molecular Weight: 466.875
• NSC Number: 53834
• UNII: 82J5YYF71H
• DSSTox Substance ID: DTXSID10873227
• Nikkaji Number: J122.875G
• Wikipedia: 1-Dotriacontanol
• Wikidata: Q4545776
• Metabolomics Workbench ID: 3316
• Mol file: 6624-79-9.mol

Synonyms:Dotriacontanol;1-Dotriacontanol;6624-79-9;dotriacontan-1-ol;n-Dotriacontanol;UNII-82J5YYF71H;82J5YYF71H;NSC-53834;1-dotriacontanol;Laccerol;dotriacontyl alcohol;NSC53834;SCHEMBL15716;Dotriacontanol, n-Dotriacontanol;CHEBI:77414;DTXSID10873227;LMFA05000458;NSC 53834;AKOS028108599;Q4545776

Chemical Property of Dotriacontanol

Chemical Property:

• Vapor Pressure: 2.69E-10mmHg at 25°C
• Melting Point: 96℃ (hexane )
• Refractive Index: 1.46
• Boiling Point: 457.6 °C at 760 mmHg
• PKA: 15.20±0.10(Predicted)
• Flash Point: 123.7 °C
• PSA: 20.23000
• Density: 0.842 g/cm³
• LogP: 11.70160
• XLogP3: 16
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 30
• Exact Mass: 466.511366725
• Heavy Atom Count: 33
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

Technology Process of Dotriacontanol

There total 4 articles about Dotriacontanol 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: 54.0%

Lacceric acid (3625-52-3) → dotriacontan-1-ol (6624-79-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1111/j.2042-7158.1981.tb13736.x

Reference yield:

Lacceryl laccerate → Lacceric acid (3625-52-3) + dotriacontan-1-ol (6624-79-9)

Guidance literature:

With potassium hydroxide; calcium chloride; In ethanol; Yields of byproduct given; 1.) reflux, 8 h, 2.) reflux 3 h;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + p-Coumaric Acid (7400-08-0,50940-26-6) → dotriacontan-1-ol (6624-79-9) + 3-(4-methoxy-phenyl)acrylic acid methyl ester (3901-07-3)

Guidance literature:

In methanol; diethyl ether;

upstream raw materials:

Lacceric acid

diazomethane

p-Coumaric Acid

Downstream raw materials:

1-bromo-dotriacontane

tetrahexacontane

Refernces

• 1、 Arnarson,Elworthy. "Effects of structural variations of non-ionic surfactants on micellar properties and solubilization: surfactants containing very long hydrocarbon chains". . p. 141 - 144. Retrieved 2007/10/02.