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

CAS: 123-96-6 Cat. No.: O111528 Formule: C₈H₁₈O Poids moléculaire: 130.23 Beilstein Registry Number: 1719325 Numéro CE: 204-667-0

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%(GC)

Noms et identifiants

Pubchem Sid

504752961

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCCCCCC(C)O

WGK Allemagne

2

RTECS

RH0795000

Poids moléculaire

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
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.420～1.427
• Point d'éclair (°F): 159.8 °F
• Point d'éclair (°C): 71℃
• Point d'ébullition (°C): 179°C
• Point de fusion (°C): -39°C(lit.)
• Poids moléculaire: 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