Cetomacrogol 1000

Base Information

• Chemical Name: Cetomacrogol 1000
• CAS No.: 9004-95-9
• Deprecated CAS: 116464-10-9,137505-79-4,138874-15-4,145613-03-2,145613-05-4,145613-06-5,150260-52-9,31586-40-0,31800-63-2,32054-77-6,37359-30-1,39290-55-6,50813-70-2,50813-71-3,53663-60-8,63172-62-3,77282-12-3,8013-80-7,8038-99-1,111637-23-1,114797-52-3,32070-90-9,459409-04-2,503027-87-0,66015-22-3,1433018-70-2,1456520-38-9,1523474-62-5,1698885-20-9,2073110-71-9,741258-97-9
• Molecular Formula: C₂₀H₄₂O₃
• Molecular Weight: 330.552
• Hs Code.: 34021300
• European Community (EC) Number: 500-014-1
• DSSTox Substance ID: DTXSID7046708
• Nikkaji Number: J600.269B
• Wikipedia: Cetomacrogol_1000
• Wikidata: Q81984365
• NCI Thesaurus Code: C84073,C84083
• RXCUI: 1310709,1314341,1427231
• ChEMBL ID: CHEMBL2355804
• Mol file: 9004-95-9.mol

Synonyms:alpha-Hexadecyl-omega-Hydroxypoly(oxy-1,2-Ethanediyl);Brij 52;Brij 56;Brij 58;Brij-58;Brij58;Cetomacrogol;Cetomacrogol 1000;n Hexadecane Polyoxyethylene Glycol Monether;n-Hexadecane Polyoxyethylene Glycol Monether;Polyethylene Glycol Cetyl Ether;Polyethylene Glycol Monohexadecyl Ether

Chemical Property of Cetomacrogol 1000

Chemical Property:

• Appearance/Colour: off-white waxy solid
• Vapor Pressure: 0.26 psi ( 20 °C)
• Melting Point: 41-49 °C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 35.4-39.6 °C
• Flash Point: >110 °C
• PSA: 204.83000
• Density: 0.987 g/mL
• LogP: 5.79200
• Storage Temp.: -20°C
• Solubility.: 2300g/L in organic solvents at 20 ℃
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 74
• Exact Mass: 1122.78526064
• Heavy Atom Count: 77
• Complexity: 999

Purity/Quality:

98%, ^*data from raw suppliers

Polyethylene Glycol Monocetyl Ether (n=approx. 23) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polyoxyethylenes
• Canonical SMILES: CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
• Description: Polyethylene Glycol Monocetyl Ether(Cetomacrogol 1000) is off-white waxy solid. Polyethylene Glycol Monocetyl Ether is the tradename for polyethylene glycol hexadecyl ether , which is nonionic surfactant produced by the ethoxylation of cetyl alcohol to give a material with the general formula HO(C2H4O)nC16H33. Several grades of this material are available depending of the level of ethoxylation performed, with repeat units (n) of polyethylene glycol varying between 2 and 20. Commercially it can be known as Brij 58 (when n=20) or Brij 56 (when n=10).
• Uses: Polyethylene glycol hexadecyl ether is used as a surface active agent in cosmetics. Polyethylene glycol hexadecyl ether is a compound of derivatives of cetyl, lauryl, stearyl, and oleyl alcohols mixed with ethylene oxide.Non-ionic surfactant of the polyethylene glycol family. Polyethylene glycol hexadecyl ether is used as a solubilizer and emulsifying agent in foods, cosmetics, and pharmaceuticals, often as an ointment base, and also as a research tool.?Polyethylene glycol hexadecyl ether is used as an oil in water (O/W) emulsifier for creams/lotions, and a wetting agent. Polyethylene glycol hexadecyl ether, or Brij 58, has been used in a study to assess properties of gemini-conventional surfactant mixtures and their effects on solubilization of polycyclic aromatic hydrocarbons. It has also been used in a study to investigate RNase-sensitive constraint of bacterial nucleoid structure. ceteth is used as a surface active agent in cosmetics. It is a compound of derivatives of cetyl, lauryl, stearyl, and oleyl alcohols mixed with ethylene oxide. Brij? C10 is a surfactant that can be used for applications such as: improving the wetting of PEDOT:PSS which can further be used in the fabrication of thin film transistors, formation of reverse micelles for the synthesis of high yielding nanostructures, in the preparation of platinum electrode for fuel cell applications

Technology Process of Cetomacrogol 1000

There total 37 articles about Cetomacrogol 1000 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: 100.0%

methyl hexadecyloxyacetate (58210-01-8) → 2-(hexadecyloxy)ethanol (2136-71-2,39290-55-6,53663-60-8,8038-99-1,9004-95-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating;

Reference yield: 94.0%

1-(2-{2-[2-(2-hexadecyloxyethoxy)ethoxy]ethoxy}ethoxy)tetrahydropyran (903579-54-4) → 2-{2-[2-(2-hexadecyloxyethoxy)ethoxy]ethoxy}ethanol (5274-63-5,39290-55-6,53663-60-8,8038-99-1,9004-95-9)

Guidance literature:

With pyridinium p-toluenesulfonate; In ethanol; at 55 ℃; for 8h;

DOI:10.1016/j.tet.2007.11.097

Reference yield: 93.0%

(Hexadecyloxy)acetic acid (58210-02-9) → 2-(hexadecyloxy)ethanol (2136-71-2,39290-55-6,53663-60-8,8038-99-1,9004-95-9)

Guidance literature:

With borane-THF; at 0 ℃; for 2h;

DOI:10.1021/jm00147a010

upstream raw materials:

pentaethylene glycol

hexadecanyl bromide

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

1-Chlorohexadecan

Refernces

• 1、 -. "N4 - hydroxycytidine derivative as well as preparation method and application thereof". Paragraph 0089-0093. . Retrieved 2021/09/01.
• 2、 -. "An N4-hydroxycytoside derivative and its preparation method and use". Paragraph 0080-0084. . Retrieved 2021/12/07.