4-Decanol - ≥95%(GC) , CAS No.2051-31-2

CAS: 2051-31-2 Cat. No.: D154356 Fórmula: C₁₀H₂₂O Peso molecular: 158.29 Beilstein Registry Number: 1426 Número CE: 218-117-2

GRADE & PURITY ≥95%(GC)

Synonyms

Decan-4-ol | DTXSID00870927 | LS-13912 | 1-Propylheptyl alcohol | (+/-)-4-Decanol; 1-Propylheptyl alcohol; NSC 2637; dl-Decan-4-ol; 4-Decanol | EINECS 218-117-2 | CAA05131 | 8EG28W5Z8K | AKOS009156586 | CHEBI:195602 | NSC 2637 | Decanol-4 | MFCD00039627 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Decan-4-ol | DTXSID00870927 | LS-13912 | 1-Propylheptyl alcohol | (+/-)-4-Decanol; 1-Propylheptyl alcohol; NSC 2637; dl-Decan-4-ol; 4-Decanol | EINECS 218-117-2 | CAA05131 | 8EG28W5Z8K | AKOS009156586 | CHEBI:195602 | NSC 2637 | Decanol-4 | MFCD00039627 |

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

• Pubchem Sid: 488182231
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182231
• Sorrisos canónicos: CCCCCCC(CCC)O
• IUPAC Name: decan-4-ol
• InChIKey: DTDMYWXTWWFLGJ-UHFFFAOYSA-N
• INCHI: 1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3
• SMILES isoméricas: CCCCCCC(CCC)O
• Peso molecular: 158.29
• Beilstein: 1426
• Reaxy-Rn: 4780884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4780884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 82°C(lit.)
• Ponto de inflamação (°C): 82°C
• Ponto de ebulição (°C): 211°C
• Peso molecular: 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