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

CAS: 6117-97-1 Cat. No.: M158515 Formule: C₁₃H₂₈ Poids moléculaire: 184.37 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504759107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759107
• Sourires canoniques: 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
• Isomères SMILES: CCCCCCCCC(C)CCC
• Poids moléculaire: 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
    • 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: 1.43
• Point d'éclair (°C): 71 °C
• Point d'ébullition (°C): 102°C/14mmHg(lit.)
• Poids moléculaire: 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

Foire aux questions

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.