Polyoxyethylene stearate - n≈45 , CAS No.9004-99-3

CAS: 9004-99-3 Cat. No.: P139718 Fórmula: HO(CH₂CH_2O)_nOCC₁₇H₃₅ Número EC: 618-405-1

CALIDAD & PUREZA n≈45

Synonyms

Emanon 3199 | Cerasynt MN | Lactine | MYS 40 | Nikkol MYS 4 | PEG 42 | Akyporox S 100 | Cerasynt M | Nonex 63 | PEG-40 stearate | Soromin-SG | 2-Hydroxyethyl octadecanoate | PEG-8 Stearate | Usaf ke-12 | Prodhybas N | 2-Hydroxyethyl stearate | Pegosperse

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

Emanon 3199 | Cerasynt MN | Lactine | MYS 40 | Nikkol MYS 4 | PEG 42 | Akyporox S 100 | Cerasynt M | Nonex 63 | PEG-40 stearate | Soromin-SG | 2-Hydroxyethyl octadecanoate | PEG-8 Stearate | Usaf ke-12 | Prodhybas N | 2-Hydroxyethyl stearate | Pegosperse

Especificaciones y pureza

n≈45

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Pubchem Sid

508816097

Sonrisas canónicas

CCCCCCCCCCCCCCCCCC(=O)OCCO

IUPAC Name

2-hydroxyethyl octadecanoate

InChIKey

RFVNOJDQRGSOEL-UHFFFAOYSA-N

INCHI

1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3

Isómeros SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCO

WGK Alemania

1

RTECS

MD0907300

Reaxy-Rn

1794033

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1794033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 56.5-61.5°C
• Peso molecular: 328.500 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 328.298 Da
• Monoisotopic Mass: 328.298 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 241.000
• 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