3,4-Dimethylhexane - ≥95% , CAS No.583-48-2

CAS: 583-48-2 Cat. No.: D155210 Fórmula: C₈H₁₈ Peso molecular: 114.23 Beilstein Registry Number: 1718740 Número EC: 209-504-7

CALIDAD & PUREZA ≥95%

Synonyms

AKOS015841879 | DTXSID30862234 | D89816 | C2H5CH(CH3)CH(CH3)C2H5 | FT-0614379 | Hexane, 3,4-dimethyl- | 3,4-DIMETHYL HEXANE | Q2815980 | 3,4-Dimethylhexane, analytical standard | D1228 | RNTWWGNZUXGTAX-UHFFFAOYSA-N | MFCD00039927 | 3,4-DIMETHYLHEXANE | 3,

Storage

Room temperature

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

AKOS015841879 | DTXSID30862234 | D89816 | C2H5CH(CH3)CH(CH3)C2H5 | FT-0614379 | Hexane, 3,4-dimethyl- | 3,4-DIMETHYL HEXANE | Q2815980 | 3,4-Dimethylhexane, analytical standard | D1228 | RNTWWGNZUXGTAX-UHFFFAOYSA-N | MFCD00039927 | 3,4-DIMETHYLHEXANE | 3,

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

CCC(C)C(C)CC

IUPAC Name

3,4-dimethylhexane

InChIKey

RNTWWGNZUXGTAX-UHFFFAOYSA-N

INCHI

1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3

Isómeros SMILES

CCC(C)C(C)CC

WGK Alemania

2

Peso molecular

114.23

Beilstein

1718740

Reaxy-Rn

1718744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718744&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: 1.4
• Punto de inflamación (°F): 42.8 °F
• Punto de inflamación (°C): 13°C(lit.)
• Punto de ebullición (°C): 117°C
• Peso molecular: 114.230 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 114.141 Da
• Monoisotopic Mass: 114.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 40.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1