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

CAS: 123-96-6 Cat. No.: O111528 Formula: C₈H₁₈O Molecular Weight: 130.23 Beilstein Registry Number: 1719325 EC Number: 204-667-0

GRADE & PURITY ≥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

Overview

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.

Specifications

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

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

Pubchem Sid

504752961

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

CCCCCCC(C)O

WGK Germany

2

RTECS

RH0795000

Molecular Weight

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
    • Class Fatty Acyls
      • Subclass Fatty alcohols

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.420～1.427
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 71℃
• Boil Point(°C): 179°C
• Melt Point(°C): -39°C(lit.)
• Molecular Weight: 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