Ceteth-3

Base Information

• Chemical Name: Ceteth-3
• CAS No.: 4484-59-7
• Molecular Formula: C22H46O4
• Molecular Weight: 374.59824
• Hs Code.: 2909499000
• UNII: TW78B99GXA
• DSSTox Substance ID: DTXSID20867814
• Nikkaji Number: J644.850J
• Wikidata: Q27290456
• Mol file: 4484-59-7.mol

Synonyms:Ceteth-3;Emalex 103;Ceteth-3 [INCI];3,6,9-Trioxapentacosan-1-ol;4484-59-7;Trioxyethylene hexadecyl ether;Triethylene glycol cetyl ether;UNII-TW78B99GXA;TW78B99GXA;Triethylene glycol monohexadecyl ether;2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol;J644.850J;Ethanol, 2-(2-(2-(hexadecyloxy)ethoxy)ethoxy)-;C16EOx;BM94E33YPH;SCHEMBL61724;DTXSID20867814;Triethylene glycol monohexadecyl ether*;NS00014532;Q27290456

Chemical Property of Ceteth-3

Chemical Property:

• Melting Point: 35-36?°C
• PSA: 47.92000
• LogP: 5.50980
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 23
• Exact Mass: 374.33960994
• Heavy Atom Count: 26
• Complexity: 236

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOCCOCCOCCO

Technology Process of Ceteth-3

There total 5 articles about Ceteth-3 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: 72.0%

1-phenyl-2,5,8,11-tetraoxaheptacosane → triethyleneglycol-mono-n-hexadecyl ether (4484-59-7,39290-55-6,53663-60-8,8038-99-1,9004-95-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol;

DOI:10.1021/acs.orglett.0c03597

Reference yield:

hexadecanyl bromide (112-82-3) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → triethyleneglycol-mono-n-hexadecyl ether (4484-59-7,39290-55-6,53663-60-8,8038-99-1,9004-95-9)

Guidance literature:

With sodium;

DOI:10.1021/jo01073a034

Reference yield:

methanesulfonic acid hexadecyl ester (20779-14-0) → triethyleneglycol-mono-n-hexadecyl ether (4484-59-7,39290-55-6,53663-60-8,8038-99-1,9004-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / tetrahydrofuran / Reflux

2: palladium 10% on activated carbon; hydrogen / ethanol

With palladium 10% on activated carbon; hydrogen; sodium hydride; In tetrahydrofuran; ethanol;

DOI:10.1021/acs.orglett.0c03597

upstream raw materials:

hexadecanyl bromide

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

methanesulfonic acid hexadecyl ester

1-Hexadecanol

Downstream raw materials:

hexaethylene glycol mono n-hexadecyl ether

Refernces

• 1、 -. "Combinatorial synthesis of PEG oligomer libraries". Page/Page column 9. . Retrieved 2010/02/15.