2-octyldecan-1-ol - ≥95% , CAS No.45235-48-1

CAS: 45235-48-1 Cat. No.: D766933 Fórmula: C₁₈H₃₈O Peso molecular: 270.5 Número EC: 813-539-9

CALIDAD & PUREZA ≥95%

Synonyms

2-octyldecan-1-ol | 1-Decanol, 2-octyl-

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

2-octyldecan-1-ol | 1-Decanol, 2-octyl-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528757668

Sonrisas canónicas

CCCCCCCCC(CCCCCCCC)CO

IUPAC Name

2-octyldecan-1-ol

InChIKey

JYZLSYFPFQTNNO-UHFFFAOYSA-N

INCHI

1S/C18H38O/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3

Isómeros SMILES

CCCCCCCCC(CCCCCCCC)CO

Peso molecular

270.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 110-120 °C
• Punto de fusión (°C): -8 °C
• Peso molecular: 270.500 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 270.292 Da
• Monoisotopic Mass: 270.292 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 140.000
• 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