Hexadecylcyclohexane - ≥97%(GC) , CAS No.6812-38-0

CAS: 6812-38-0 Cat. No.: H157214 Fórmula: C₂₂H₄₄ Peso molecular: 308.59 Número CE: 680-038-8

GRADE & PURITY ≥97%(GC)

Synonyms

MFCD04038421 | Hexadecylcyclohexane | H0966 | NRHBFNBZAZZTAU-UHFFFAOYSA-N | AS-57258 | 1-CYCLOHEXYLHEXADECANE | n-Hexadecylcyclohexane | AKOS028108404 | Cyclohexane, hexadecyl- | DTXSID1075068

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD04038421 | Hexadecylcyclohexane | H0966 | NRHBFNBZAZZTAU-UHFFFAOYSA-N | AS-57258 | 1-CYCLOHEXYLHEXADECANE | n-Hexadecylcyclohexane | AKOS028108404 | Cyclohexane, hexadecyl- | DTXSID1075068

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

• Pubchem Sid: 504753111
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753111
• Sorrisos canónicos: CCCCCCCCCCCCCCCCC1CCCCC1
• IUPAC Name: hexadecylcyclohexane
• InChIKey: NRHBFNBZAZZTAU-UHFFFAOYSA-N
• INCHI: 1S/C22H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h22H,2-21H2,1H3
• SMILES isoméricas: CCCCCCCCCCCCCCCCC1CCCCC1
• Peso molecular: 308.59
• Reaxy-Rn: 1906883
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906883&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 32 °C
• Peso molecular: 308.600 g/mol
• XLogP3: 11.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 15
• Exact Mass: 308.344 Da
• Monoisotopic Mass: 308.344 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 202.000
• 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

Referências

1. Wenya Hu, Jialin Niu, Ruoning Bao, Chenglong Dong, Habtegabir Sara Girmay, Chunming Xu, Yehua Han.  (2023)  Selective Characterization of Olefins by Paternò–Büchi Reaction with Ultrahigh Resolution Mass Spectrometry.  ANALYTICAL CHEMISTRY,      [PMID:37728182] [10.1021/acs.analchem.3c02966]

Perguntas frequentes

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

This product is supplied at ≥97% 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 6812-38-0, the molecular formula is C22H44, and the molecular weight is 308.59 g/mol. InChIKey NRHBFNBZAZZTAU-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.