Brij® S 100 - average Mn ~4,670 , CAS No.9005-00-9

CAS: 9005-00-9 Cat. No.: B129095 Formula: C₁₈H₃₇(OCH₂CH₂)nOH, n~20 EC Number: 500-017-8

GRADE & PURITY average Mn ~4,670

Synonyms

MYRJ 59 PELLETS | A4605 | BB 0256761 | 2-(octadecyloxy) ethanol | PD160410 | 2-Octadecyloxyethanol | D08975 | FT-0682442 | F20467 | (S)-Methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate | F77844 | CAS-9005-00-9 | Ethanol,2-(octadecyloxy)- | 8K0ZV6FAIZ | DS

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Myrj S100 is a biodegradable nonionic surfactant. It is derived from a natural fatty acid (stearic acid) and ethylene oxide and finds use in many home care and I&I applications. Myrj is often blended with products from the Span range to obtain stable emulsions. Chemical group Nonionic Surfactants - Ethoxylated Fatty Acids Manufacturer：Croda

Application：

Brij® S 100 may be used:

as a non-ionic surfactant to study its interactions with luminol electrochemiluminescence for bioanalysis

as a carrier material to study the formulation of nimodipine, fenofibrate, and o-vanillin using the particles from gas-saturated solution (PGSS) process

as a hydrophilic surfactant in the casting solution to prepare an asymmetric flat sheet nanofiltration membranes and to study its effects on the hydrophilic property of the poly(ethersulfone) (PES) nanofiltration membranes

Specifications

Synonyms

MYRJ 59 PELLETS | A4605 | BB 0256761 | 2-(octadecyloxy) ethanol | PD160410 | 2-Octadecyloxyethanol | D08975 | FT-0682442 | F20467 | (S)-Methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate | F77844 | CAS-9005-00-9 | Ethanol,2-(octadecyloxy)- | 8K0ZV6FAIZ | DS

Specifications & Purity

average Mn ~4,670

Legal Information

Brij is a registered trademark of Croda International PLC

Storage

Argon charged,Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 508810361
• Canonical Smiles: CCCCCCCCCCCCCCCCCCOCCO
• IUPAC Name: 2-octadecoxyethanol
• InChIKey: ICIDSZQHPUZUHC-UHFFFAOYSA-N
• INCHI: 1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCOCCO
• WGK Germany: 2
• Reaxy-Rn: 1770489
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770489&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

Chemical and Physical Properties

• x_melt_point_char: 44-45 °C (lit.)
• Molecular Weight: 314.500 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 314.318 Da
• Monoisotopic Mass: 314.318 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 183.000
• 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