Behenyl behenate

Base Information

• Chemical Name: Behenyl behenate
• CAS No.: 17671-27-1
• Deprecated CAS: 881028-10-0,1672701-09-5
• Molecular Formula: C44H88O2
• Molecular Weight: 649.182
• Hs Code.: 2915900090
• European Community (EC) Number: 241-646-5
• UNII: K8NU647RJ0
• DSSTox Substance ID: DTXSID0066242
• Nikkaji Number: J287.109B
• Wikidata: Q27282094
• Metabolomics Workbench ID: 3708
• Mol file: 17671-27-1.mol

Synonyms:Behenyl behenate;Docosyl docosanoate;17671-27-1;Docosanoic acid, docosyl ester;docosanyl docosanoate;UNII-K8NU647RJ0;K8NU647RJ0;EINECS 241-646-5;EC 241-646-5;WE(22:0/22:0);docosyl behenate;Pelemol BB;Starfol BB;BEHENYL BEHENATE [INCI];DTXSID0066242;SCHEMBL21352453;BCP32488;C44H88O2;LMFA07010063;AS-60040;CS-0333826;D92929;W-110461;Q27282094

Chemical Property of Behenyl behenate

Chemical Property:

• Vapor Pressure: 1.21E-15mmHg at 25°C
• Melting Point: 75 °C
• Refractive Index: 1.459
• Boiling Point: 627.1 °C at 760 mmHg
• Flash Point: 347.4 °C
• PSA: 26.30000
• Density: 0.856 g/cm³
• LogP: 16.17340
• Storage Temp.: −20°C
• XLogP3: 21.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 42
• Exact Mass: 648.67843205
• Heavy Atom Count: 46
• Complexity: 544

Purity/Quality:

99.9% ^*data from raw suppliers

BehenylBehenate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
• Uses: Behenyl Behenate is a wax ester. Behenyl Behenate has possible applications as a non-hazardous, biodegradable industrial wood coating.

Technology Process of Behenyl behenate

There total 4 articles about Behenyl behenate 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: 99.6%

1-docosanol (661-19-8) + n-docosanoic acid (112-85-6) → docosyl docosanoate (17671-27-1)

Guidance literature:

at 250 ℃; for 15h; Inert atmosphere;

Reference yield:

1-docosanol (661-19-8) → docosyl docosanoate (17671-27-1)

Guidance literature:

With quinoline; chloroform;

Reference yield:

docosanoic acid phenyl ester (149068-49-5) → docosyl docosanoate (17671-27-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium; isoamyl alcohol

2: chloroform; quinoline

With quinoline; i-Amyl alcohol; chloroform; sodium;

upstream raw materials:

1-docosanol

docosanoic acid phenyl ester

n-docosanoic acid

Refernces

• 1、 -. "PRODUCTION METHOD OF ESTER COMPOUND". Paragraph 0030; 0033. . Retrieved 2019/10/01.