Brij® S2 , CAS No.9005-00-9

CAS: 9005-00-9 Cat. No.: B129084 Summenformel: C₁₈H₃₇(OCH₂CH₂)nOH, n~20 EG-Nummer: 500-017-8

Synonyms

Brij 72 | 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 | DSSTox_GSI

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Brij S2 is an ethoxylated (2) natural fatty alcohol, based on stearyl alcohol. This naturally derived surfactant offers a number of functional benefits including wetting and high foaming to a variety of applications. Chemical group Nonionic Surfactants - Ethoxylated Fatty Alcohols Manufacturer：Croda

Spezifikationen

Synonyme

Brij 72 | 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 | DSSTox_GSI

Rechtliche Informationen

Brij is a registered trademark of Croda International PLC

Storage

Room temperature,Argon charged

Verschickt in

Normal

Namen und Kennungen

Pubchem Sid

508810362

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810362

Kanonisches Lächeln

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

Isomere SMILES

CCCCCCCCCCCCCCCCCCOCCO

WGK Deutschland

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
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 44-45 °C (lit.)
• Molekulargewicht: 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