n-Octanal Diethyl Acetal - ≥97%(GC) , CAS No.54889-48-4

CAS: 54889-48-4 Cat. No.: N159864 Peso molecular: 202.34 Número EC: 259-385-0

GRADE & PURITY ≥97%(GC)

Synonyms

Octane, 1,1-diethoxy- | AKOS030228002 | SCHEMBL3506995 | D91870 | MFCD00672807 | EINECS 259-385-0 | n-OctanalDiethylAcetal | O0427 | 1,1-Diethoxyoctane | 1,1-diethoxy-octane | AI3-05099 | Octanal diethyl acetal | Octane,1-diethoxy- | NSC408319 | NSC-40831

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Octane, 1, 1-diethoxy- | AKOS030228002 | SCHEMBL3506995 | D91870 | MFCD00672807 | EINECS 259-385-0 | n-OctanalDiethylAcetal | O0427 | 1, 1-Diethoxyoctane | 1, 1-diethoxy-octane | AI3-05099 | Octanal diethyl acetal | Octane, 1-diethoxy- | NSC408319 | NSC-40831

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCC(OCC)OCC
• IUPAC Name: 1,1-diethoxyoctane
• InChIKey: BRKIPAWFUDCCOO-UHFFFAOYSA-N
• INCHI: 1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3
• Isómeros SMILES: CCCCCCCC(OCC)OCC
• Peso molecular: 202.34
• Reaxy-Rn: 1700038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700038&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.42
• Punto de inflamación (°C): 58 °C
• Punto de ebullición (°C): 115°C/20mmHg(lit.)
• Peso molecular: 202.330 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193 Da
• Monoisotopic Mass: 202.193 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 98.500
• 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