2,6-Dimethyloctane - ≥90% , CAS No.2051-30-1

CAS: 2051-30-1 Cat. No.: D154774 Fórmula: C₁₀H₂₂ Peso molecular: 142.29 Beilstein Registry Number: 1(4)477 Número EC: 623-659-1

CALIDAD & PUREZA ≥90%

Synonyms

2,6-DIMETHYLOCTANE|2,6-Dimethyl octane|R-(-)-2,6-DIMETHYLOCTANE|Octane, 2,6-dimethyl-|Octane,6-dimethyl-

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application:

Myrcane is a useful synthetic intermediate. It was used to synthesize alcohols via C-H hydroxylation of alicyclic and aliphatics compounds.

Especificaciones

Sinónimos

2,6-DIMETHYLOCTANE | 2,6-Dimethyl octane | R-(-)-2,6-DIMETHYLOCTANE | Octane, 2,6-dimethyl- | Octane,6-dimethyl-

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

Pubchem Sid

504752746

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752746

Sonrisas canónicas

CCC(C)CCCC(C)C

IUPAC Name

2,6-dimethyloctane

InChIKey

ZALHPSXXQIPKTQ-UHFFFAOYSA-N

INCHI

1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3

Isómeros SMILES

CCC(C)CCCC(C)C

Número ONU

3295

Grupo de embalaje

III

Peso molecular

142.29

Beilstein

1(4)477

Reaxy-Rn

1718847

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718847&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.41
• Punto de inflamación (°F): 34°C(lit.)
• Punto de inflamación (°C): 34°C(lit.)
• Punto de ebullición (°C): 158°C
• Peso molecular: 142.280 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 142.172 Da
• Monoisotopic Mass: 142.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 64.400
• 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