Isodecanol - ≥98%(sum of C9-C11) , CAS No.68526-85-2

CAS: 68526-85-2 Cat. No.: I298943 Fórmula: C₁₀H₂₂O Peso molecular: 158.28 Número CE: 271-234-0

GRADE & PURITY ≥98%(sum of C9-C11)

Synonyms

3160X491M7 | HSDB 616 | Exxal 10 | iso-Decylalcohol | AM20120580 | UNII-3160X491M7 | SCHEMBL20345 | DTXSID3058660 | FT-0672037 | 8-methylnonan-1-ol;Isodecanol | EINECS 271-360-6 | 8-Methyl-nonan-1-ol | 8-methylnonan-1-ol | D98228 | FT-0654308 | EINECS 246

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3160X491M7 | HSDB 616 | Exxal 10 | iso-Decylalcohol | AM20120580 | UNII-3160X491M7 | SCHEMBL20345 | DTXSID3058660 | FT-0672037 | 8-methylnonan-1-ol;Isodecanol | EINECS 271-360-6 | 8-Methyl-nonan-1-ol | 8-methylnonan-1-ol | D98228 | FT-0654308 | EINECS 246

Especificações e pureza

≥98%(sum of C9-C11)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(sum of C9-C11)

Nomes e identificadores

Pubchem Sid

488183205

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183205

Sorrisos canónicos

CC(C)CCCCCCCO

IUPAC Name

8-methylnonan-1-ol

InChIKey

PLLBRTOLHQQAQQ-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

CC(C)CCCCCCCO

Peso molecular

158.28

Reaxy-Rn

1698087

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698087&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: 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: 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: 69.300
• 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