(Methylimino)diethane-1,2-diyl distearate

Base Information

• Chemical Name: (Methylimino)diethane-1,2-diyl distearate
• CAS No.: 13998-76-0
• Molecular Formula: C41H81 N O4
• Molecular Weight: 652.098
• Hs Code.: 2922499990
• European Community (EC) Number: 237-800-6
• DSSTox Substance ID: DTXSID00161206
• Nikkaji Number: J216.813H
• Wikidata: Q83029565
• Mol file: 13998-76-0.mol

Synonyms:(Methylimino)diethane-1,2-diyl distearate;13998-76-0;2-[methyl(2-octadecanoyloxyethyl)amino]ethyl octadecanoate;EINECS 237-800-6;SCHEMBL17401275;C41H81NO4;DTXSID00161206;C41-H81-N-O4;Dioctadecanoic acid methyliminobis(2,1-ethanediyl) ester

Chemical Property of (Methylimino)diethane-1,2-diyl distearate

Chemical Property:

• Vapor Pressure: 5.13E-18mmHg at 25°C
• Boiling Point: 673.8°C at 760 mmHg
• Flash Point: 361.3°C
• PSA: 55.84000
• Density: 0.906g/cm³
• LogP: 12.52760
• XLogP3: 16.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 40
• Exact Mass: 651.61656007
• Heavy Atom Count: 46
• Complexity: 574

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCN(C)CCOC(=O)CCCCCCCCCCCCCCCCC

Technology Process of (Methylimino)diethane-1,2-diyl distearate

There total 3 articles about (Methylimino)diethane-1,2-diyl distearate 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: 65.0%

N-Methyldiethanolamine (105-59-9) + stearic acid (57-11-4) → N,N-bis(stearoyl-oxy-ethyl)-N-methyl amine (13998-76-0)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In chloroform; for 12h; Ambient temperature;

DOI:10.1021/ja00337a005

Reference yield:

N-Methyldiethanolamine (105-59-9) + stearic acid (57-11-4) → methyl diethanolamine monostearate ester (63833-72-7) + N,N-bis(stearoyl-oxy-ethyl)-N-methyl amine (13998-76-0)

Guidance literature:

With hypophosphorous acid; at 110 - 200 ℃; Inert atmosphere;

DOI:10.1002/jsde.12211

Reference yield:

→ N,N-bis(stearoyl-oxy-ethyl)-N-methyl amine (13998-76-0)

Guidance literature:

upstream raw materials:

N-Methyldiethanolamine

stearic acid

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