4-Methylhexan-1-ol - ≥95% , CAS No.818-49-5

CAS: 818-49-5 Cat. No.: M766919 Fórmula: C₇H₁₆O Peso molecular: 116.20

GRADE & PURITY ≥95%

Synonyms

4-Methyl-1-hexanol | 4-methylhexan-1-ol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4-Methyl-1-hexanol | 4-methylhexan-1-ol

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CCC(C)CCCO
• IUPAC Name: 4-methylhexan-1-ol
• InChIKey: YNPVNLWKVZZBTM-UHFFFAOYSA-N
• INCHI: 1S/C7H16O/c1-3-7(2)5-4-6-8/h7-8H,3-6H2,1-2H3
• SMILES isoméricas: CCC(C)CCCO
• Peso molecular: 116.20

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: 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
• 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

• Peso molecular: 303.320 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 303.154 Da
• Monoisotopic Mass: 303.154 Da
• Topological Polar Surface Area: 194.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 331.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3