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

CAS: 583-48-2 Cat. No.: D155210 Formule: C₈H₁₈ Poids moléculaire: 114.23 Beilstein Registry Number: 1718740 Numéro CE: 209-504-7

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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,

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥95%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CCC(C)C(C)CC

WGK Allemagne

2

Poids moléculaire

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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.4
• Point d'éclair (°F): 42.8 °F
• Point d'éclair (°C): 13°C(lit.)
• Point d'ébullition (°C): 117°C
• Poids moléculaire: 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