3,3-Dimethylhexane - ≥99%(GC) , CAS No.563-16-6

CAS: 563-16-6 Cat. No.: D155222 Summenformel: C₈H₁₈ Molekulargewicht: 114.23 Beilstein Registry Number: 1(4)435 EG-Nummer: 209-243-9

GRADE & PURITY ≥99%(GC)

Synonyms

3,3-DIMETHYL HEXANE | NSC 74174 | AKOS024420966 | 3,3-Dimethylhexane | 3,3-dimethyl-hexane | 5Y25PZR32U | T71064 | EINECS 209-243-9 | DTXSID2073194 | UNII-5Y25PZR32U | Q2815977 | Hexane, 3,3-dimethyl- | MFCD00048729 | NSC74174 | NSC-74174 | KUMXLFIBWFCMOJ

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

3,3-DIMETHYL HEXANE | NSC 74174 | AKOS024420966 | 3,3-Dimethylhexane | 3,3-dimethyl-hexane | 5Y25PZR32U | T71064 | EINECS 209-243-9 | DTXSID2073194 | UNII-5Y25PZR32U | Q2815977 | Hexane, 3,3-dimethyl- | MFCD00048729 | NSC74174 | NSC-74174 | KUMXLFIBWFCMOJ

Spezifikationen & Reinheit

≥99%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥99%(GC)

Namen und Kennungen

• Kanonisches Lächeln: CCCC(C)(C)CC
• IUPAC Name: 3,3-dimethylhexane
• InChIKey: KUMXLFIBWFCMOJ-UHFFFAOYSA-N
• INCHI: 1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
• Isomere SMILES: CCCC(C)(C)CC
• Molekulargewicht: 114.23
• Beilstein: 1(4)435
• Reaxy-Rn: 1696868
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696868&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°C): 7°C(lit.)
• Siedepunkt (°C): 112°C
• Schmelzpunkt (°C): -126°C(lit.)
• Molekulargewicht: 114.230 g/mol
• XLogP3: 4.100
• 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: 53.100
• 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