1-Octacosanol - ≥98% , CAS No.557-61-9

CAS: 557-61-9 Cat. No.: O121690 分子式: C₂₈H₅₈O 分子量: 410.76 EC番号: 209-181-2

GRADE & PURITY ≥98%

Synonyms

F17671 | O0199 | s5161 | 81I2215OVK | DTXSID1025803 | NCGC00274075-01 | OCTACOSANOL,95% | OCTACOSANOL [WHO-DD] | EINECS 209-181-2 | Octacosan-1-ol | Q3631024 | C08387 | O8N | Cluytyl alcohol | SCHEMBL16043 | A830795 | HY-N6811 | AS-14389 | OCTACOSANOL (CO

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

F17671 | O0199 | s5161 | 81I2215OVK | DTXSID1025803 | NCGC00274075-01 | OCTACOSANOL,95% | OCTACOSANOL [WHO-DD] | EINECS 209-181-2 | Octacosan-1-ol | Q3631024 | C08387 | O8N | Cluytyl alcohol | SCHEMBL16043 | A830795 | HY-N6811 | AS-14389 | OCTACOSANOL (CO

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508812082

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

IUPAC Name

octacosan-1-ol

InChIKey

CNNRPFQICPFDPO-UHFFFAOYSA-N

INCHI

1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3

異性体SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

WGKドイツ

3

分子量

410.76

Reaxy-Rn

1786879

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1786879&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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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 fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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

• 感度: light sensitive
• 融点（°C）: 83°C
• 分子量: 410.800 g/mol
• XLogP3: 13.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 26
• Exact Mass: 410.449 Da
• Monoisotopic Mass: 410.449 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 263.000
• 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