2,4-Dimethyl-1-hexene - ≥98%(GC) , CAS No.16746-87-5

CAS: 16746-87-5 Cat. No.: D155277 Summenformel: C₈H₁₆ Molekulargewicht: 112.22 EG-Nummer: 679-718-7

GRADE & PURITY ≥98%(GC)

Synonyms

1-Hexene, 2,4-dimethyl- | PKVDGQHNRICJLA-UHFFFAOYSA-N | BS-21694 | 2,4-Dimethyl hexene-1 | DTXSID00333961 | 2,4-dimethylhex-1-ene | InChI=1/C8H16/c1-5-8(4)6-7(2)3/h8H,2,5-6H2,1,3-4H | D1241 | 2,4-Dimethyl-1-hexene | FT-0691430 | T70395 | MFCD00048655 | C2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-Hexene, 2,4-dimethyl- | PKVDGQHNRICJLA-UHFFFAOYSA-N | BS-21694 | 2,4-Dimethyl hexene-1 | DTXSID00333961 | 2,4-dimethylhex-1-ene | InChI=1/C8H16/c1-5-8(4)6-7(2)3/h8H,2,5-6H2,1,3-4H | D1241 | 2,4-Dimethyl-1-hexene | FT-0691430 | T70395 | MFCD00048655 | C2

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Kanonisches Lächeln: CCC(C)CC(=C)C
• IUPAC Name: 2,4-dimethylhex-1-ene
• InChIKey: PKVDGQHNRICJLA-UHFFFAOYSA-N
• INCHI: 1S/C8H16/c1-5-8(4)6-7(2)3/h8H,2,5-6H2,1,3-4H3
• Isomere SMILES: CCC(C)CC(=C)C
• Molekulargewicht: 112.22
• Reaxy-Rn: 1734493
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734493&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Klasse Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Unsaturated aliphatic hydrocarbons Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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 (°F): 8°C(lit.)
• Flammpunkt (°C): 8°C(lit.)
• Siedepunkt (°C): 111°C
• Molekulargewicht: 112.210 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.100
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16746-87-5, the molecular formula is C8H16, and the molecular weight is 112.22 g/mol. InChIKey PKVDGQHNRICJLA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.