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Polyoxyethylene Hexadecyl Ether

CAT: 0203-05401-84Size: 100 gDry Ice: NoHazardous: No
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CAT#:0203-05401-84Size:100 g
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CAS Number
9004-95-9
Storage Conditions
Room Temperature
Grade
EP (Extra Pure Reagent)

Chemical Information

Polyethylene Glycol Cetyl Ether

The CIR Expert Panel concluded that the alkyl PEG ethers, listed below, are safe in the present practices of use and concentration described in this safety assessment when formulated to be nonirritating. This assessment is also intended to address future alkyl PEG ether cosmetic ingredients that vary from those ingredients recited herein only by the number of ethylene glycol repeat units...Ceteth-12...

CAS Number9004-95-9
PubChem CID2724259
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular FormulaC56H114O21
Molecular Weight1123.5
XLogP4.5
Topological Polar Surface Area205
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count21
Rotatable Bond Count74
Heavy Atom Count77
Formal Charge0
Complexity999
SMILES
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3
InChIKey
NLMKTBGFQGKQEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Polyethylene Glycol Cetyl Ether
CAS: 9004-95-9
CID: 2724259
Formula: C56H114O21
MW: 1123.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1123.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count21
Rotatable Bond Count74
Exact Mass1122.78526064
Monoisotopic Mass1122.78526064
Topological Polar Surface Area205 Ų
Heavy Atom Count77
Formal Charge0
Complexity999
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1077946Hexadecyl Ether
TYD-01732-01Polyoxyethylene tridecyl ether
OR1014793Polyoxyethylene Lauryl Ether
QAA96599Glycidyl hexadecyl ether
TSH-00295-01Polyoxyethylene (20) oleyl ether
TSH-00502-01Polyoxyethylene (12) nonylphenyl ether
TSH-00464-01Polyoxyethylene (7) oleyl ether
TSH-00271Polyoxyethylene (10) stearyl ether
GD2457-100gPolyoxyethylene (20) cetyl ether
sc-281132APolyoxyethylene (10) tridecyl ether

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