2-Octanol - ≥99%(GC) , CAS No.123-96-6

CAS: 123-96-6 Cat. No.: O111528 Fórmula: C₈H₁₈O Peso molecular: 130.23 Beilstein Registry Number: 1719325 Número EC: 204-667-0

CALIDAD & PUREZA ≥99%(GC)

Synonyms

1-Methyl-1-heptanol | 2-Octanol, 97% | 2-Octanol, Vetec(TM) reagent grade, 97% | r-(-)-2-octanol | 2-Octanol, >=97% | J-520411 | Tox21_303347 | BBL100094 | BS-14738 | O0037 | SY038272 | 2-Hydroxyoctane | FT-0605256 | 2-Octanol, (2R)- | 2-Octanol, natural

Storage

Room temperature

Shipped In

Normal

Descripción general

2-Octanol is a secondary alcohol that can be oxidized by nitric acid to form 2-octanone. The performance of Al-Cu and Al-Cu-Mg mixed oxides to catalyze the dehydrogenation of 2-octanol has been investigated. The reaction kinetics of the formation of ammonium sec-octyl sulfate by reaction of 2-octanol with sulfamic acid has been reported.

Application：

2-Octanol may be used as a reducer in the preparation of monodispersed nickel nanocrystals.

Especificaciones

Sinónimos

1-Methyl-1-heptanol | 2-Octanol, 97% | 2-Octanol, Vetec(TM) reagent grade, 97% | r-(-)-2-octanol | 2-Octanol, >=97% | J-520411 | Tox21_303347 | BBL100094 | BS-14738 | O0037 | SY038272 | 2-Hydroxyoctane | FT-0605256 | 2-Octanol, (2R)- | 2-Octanol, natural

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

Pubchem Sid

504752961

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752961

Sonrisas canónicas

CCCCCCC(C)O

IUPAC Name

octan-2-ol

InChIKey

SJWFXCIHNDVPSH-UHFFFAOYSA-N

INCHI

1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3

Isómeros SMILES

CCCCCCC(C)O

WGK Alemania

2

RTECS

RH0795000

Peso molecular

130.23

Beilstein

1719325

Reaxy-Rn

1719322

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719322&ln=

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: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - 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: secondary alcohol - octanol

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

• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.420～1.427
• Punto de inflamación (°F): 159.8 °F
• Punto de inflamación (°C): 71℃
• Punto de ebullición (°C): 179°C
• Punto de fusión (°C): -39°C(lit.)
• Peso molecular: 130.229 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 130.136 Da
• Monoisotopic Mass: 130.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 52.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1