1-Octadecanol - AR , CAS No.112-92-5

CAS: 112-92-5 Cat. No.: O105096 分子式: C₁₈H₃₈O 分子量: 270.49 Beilstein Registry Number: 1362907 EC番号: 204-017-6

グレード＆純度 AR

Synonyms

CO-1897 | EC 204-017-6 | STEARYL ALCOHOL 98/F | Usp xiii stearyl alcohol | Nacol 18-94 alcohol | DTXSID8026935 | Dytol E-46 | Lanette 18 DEO | Octanodecanol | Stearylalkohol | stearyl alcohol pure | Lorol 28 | Stearyl alcohol s | Adol 68 | EINECS 204-017-

Storage

Room temperature

Shipped In

Normal

仕様

同義語

CO-1897 | EC 204-017-6 | STEARYL ALCOHOL 98/F | Usp xiii stearyl alcohol | Nacol 18-94 alcohol | DTXSID8026935 | Dytol E-46 | Lanette 18 DEO | Octanodecanol | Stearylalkohol | stearyl alcohol pure | Lorol 28 | Stearyl alcohol s | Adol 68 | EINECS 204-017-

仕様と純度

AR

保管条件

Room temperature

入荷

Normal

等級

AR

名前と識別子

パブケム・シド

508812574

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCO

IUPAC Name

octadecan-1-ol

InChIKey

GLDOVTGHNKAZLK-UHFFFAOYSA-N

INCHI

1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

異性体SMILES

CCCCCCCCCCCCCCCCCCO

RTECS

RG2010000

UN番号

1986

分子量

270.49

Beilstein

1362907

Reaxy-Rn

1362907

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362907&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: Long-chain fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
• External Descriptors: a long-chain alcohol - a primary alcohol - a fatty alcohol

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in ethanol, ether, benzene, and chloroform.
• 感度: Moisture sensitive.
• 屈折率: 1.4346
• 引火点（°F）: 365℉
• 引火点（°C）: 185℃
• 沸点（°C）: 170°C-210.5°C
• 融点（°C）: 59.4-59.8°C
• 分子量: 270.500 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 270.292 Da
• Monoisotopic Mass: 270.292 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 145.000
• 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