2-Octanol - AR, ≥98% , CAS No.123-96-6

CAS: 123-96-6 Cat. No.: O111525 分子式: C₈H₁₈O 分子量: 130.23 Beilstein Registry Number: 1719325 EC番号: 204-667-0

グレード＆純度 AR, ≥98%

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

仕様

同義語

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

仕様と純度

AR, ≥98%

保管条件

Room temperature

入荷

Normal

等級

AR

純度

≥98%

名前と識別子

パブケム・シド

508812415

カノニカル・スマイル

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

異性体SMILES

CCCCCCC(C)O

WGKドイツ

2

RTECS

RH0795000

分子量

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
    • 分類 Fatty Acyls
      • Subclass Fatty alcohols

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility in water: Practically Insoluble; Degree of Solubility in water: 1,120 mg/l 25 °C; Miscible with Ether,Alcohol,Chloroform
• 感度: Moisture sensitive.
• 屈折率: 1.420～1.427
• 引火点（°F）: 159.8 °F
• 引火点（°C）: 71℃
• 沸点（°C）: 179°C
• 融点（°C）: -39°C(lit.)
• 分子量: 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