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SP Brij® C2 MBAL-SO-(SG) - average Mn ~330, high purity , CAS No.9004-95-9
Basic Description
Synonyms
DTXSID7046708 | BRIJ 52 | Ceteth-15 | Emalex 110 | Ts 40 | BC 30 TX | Romopal O | Ceteth-16 | Nonion P 210 | UNII-W821XK704Z | PEG-15 Cetyl ether | BC 8SY | Ts A 16 | Ceteth 2 | Nissan nonion P 208 | OS 55 | Oxyethylenated hexadecyl alcohol | Cetomacrogol
Specifications & Purity
average Mn ~330
Legal Information
Brij is a registered trademark of Croda International PLC
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Dialkyl ethers
Direct Parent
Polyethylene glycols
Alternative Parents
Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Polyethylene glycol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-[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
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
Smiles
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Isomeric SMILES
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
WGK Germany
2
Beilstein
6450627
Reaxy-Rn
1899885
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1899885&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
150°C
Melt Point(°C)
32-34°C
Molecular Weight
1123.500 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
21
Rotatable Bond Count
74
Exact Mass
1122.79 Da
Monoisotopic Mass
1122.79 Da
Topological Polar Surface Area
205.000 Ų
Heavy Atom Count
77
Formal Charge
0
Complexity
999.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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17 Citations