Brij® C10 - average Mn ~683 , CAS No.9004-95-9

CAS: 9004-95-9 Cat. No.: B129090 Beilstein Registry Number: 6450627 EC Number: 500-014-1

GRADE & PURITY average Mn ~683

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

Storage

Room temperature

Shipped In

Normal

Overview

Brij C10 is a naturally derived alcohol ethoxylate that functions effectively in emulsifier systems. Chemical description Polyoxyethylene (10) cetyl ether Manufacturer：Croda
Creams & lotions Conditioning Hair styling Hair treatments Colouring Facial make-up

Specifications

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 ~683

Legal Information

Brij is a registered trademark of Croda International PLC

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488192262
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192262
• Canonical Smiles: CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
• 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
• InChIKey: NLMKTBGFQGKQEV-UHFFFAOYSA-N
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• 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.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

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

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