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

CAS: 2051-30-1 Cat. No.: D154774 Formula: C₁₀H₂₂ Peso molecolare: 142.29 Beilstein Registry Number: 1(4)477 Numero EC: 623-659-1

QUALITÀ & PUREZZA ≥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

Panoramica

Product Application:

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥90%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥90%

Nomi e identificatori

Pubchem Sid

504752746

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CCC(C)CCCC(C)C

Numero UN

3295

Gruppo di imballaggio

III

Peso molecolare

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
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.41
• Punto di infiammabilità (°F): 34°C(lit.)
• Punto di infiammabilità (°C): 34°C(lit.)
• Punto di ebollizione (°C): 158°C
• Peso molecolare: 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