4-Methyldodecane - ≥98% , CAS No.6117-97-1

CAS: 6117-97-1 Cat. No.: M158515 Summenformel: C₁₃H₂₈ Molekulargewicht: 184.37 EG-Nummer: 678-595-7

GRADE & PURITY ≥98%

Synonyms

M0238 | MFCD00048968 | T72705 | Dodecane, 4-methyl- | DTXSID1058638 | UZTXSMATBUWDDZ-UHFFFAOYSA-N | 4-Methyldodecane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

M0238 | MFCD00048968 | T72705 | Dodecane, 4-methyl- | DTXSID1058638 | UZTXSMATBUWDDZ-UHFFFAOYSA-N | 4-Methyldodecane

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504759107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759107
• Kanonisches Lächeln: CCCCCCCCC(C)CCC
• IUPAC Name: 4-methyldodecane
• InChIKey: UZTXSMATBUWDDZ-UHFFFAOYSA-N
• INCHI: 1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3
• Isomere SMILES: CCCCCCCCC(C)CCC
• Molekulargewicht: 184.37
• Reaxy-Rn: 1733092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733092&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

• Brechungsindex: 1.43
• Flammpunkt (°C): 71 °C
• Siedepunkt (°C): 102°C/14mmHg(lit.)
• Molekulargewicht: 184.360 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 184.219 Da
• Monoisotopic Mass: 184.219 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 86.000
• 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?

This product is supplied at ≥98% purity (chemical assay). 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 6117-97-1, the molecular formula is C13H28, and the molecular weight is 184.37 g/mol. InChIKey UZTXSMATBUWDDZ-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.