5-Decanol - ≥96% , CAS No.5205-34-5

CAS: 5205-34-5 Cat. No.: D154357 分子式: C₁₀H₂₂O 分子量: 158.29 EC番号: 225-999-2

GRADE & PURITY ≥96%

Synonyms

Butylpentylcarbinol | D1381 | FT-0620357 | SCHEMBL378684 | 5-Decanol | MFCD00039626 | AI3-19950 | UNII-GUU86H79T8 | Amylbutylcarbinol | Decan-5-ol | NSC244888 | NSC-244888 | CHEBI:195603 | SB83884 | NSC 244888 | GUU86H79T8 | AKOS009158086 | 5-Decyl Alcoho

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Butylpentylcarbinol | D1381 | FT-0620357 | SCHEMBL378684 | 5-Decanol | MFCD00039626 | AI3-19950 | UNII-GUU86H79T8 | Amylbutylcarbinol | Decan-5-ol | NSC244888 | NSC-244888 | CHEBI:195603 | SB83884 | NSC 244888 | GUU86H79T8 | AKOS009158086 | 5-Decyl Alcoho

仕様と純度

≥96%

保管条件

Room temperature

入荷

Normal

純度

≥96%

名前と識別子

パブケム・シド

504756452

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756452

カノニカル・スマイル

CCCCCC(CCCC)O

IUPAC Name

decan-5-ol

InChIKey

SZMNDOUFZGODBR-UHFFFAOYSA-N

INCHI

1S/C10H22O/c1-3-5-7-9-10(11)8-6-4-2/h10-11H,3-9H2,1-2H3

異性体SMILES

CCCCCC(CCCC)O

分子量

158.29

Reaxy-Rn

1735187

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735187&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: Not available

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

化学的性質と物理的性質

• 引火点（°C）: 87 °C
• 沸点（°C）: 80°C/5mmHg(lit.)
• 融点（°C）: 9°C(lit.)
• 分子量: 158.280 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 158.167 Da
• Monoisotopic Mass: 158.167 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 71.300
• 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