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

CAS: 68526-85-2 Cat. No.: I298943 分子式: C₁₀H₂₂O 分子量: 158.28 EC番号: 271-234-0

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%(sum of C9-C11)

保管条件

Room temperature

入荷

Normal

純度

≥98%(sum of C9-C11)

名前と識別子

パブケム・シド

488183205

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CC(C)CCCCCCCO

分子量

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
    • 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: 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

• 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: 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