Hexadecane - analytical standard, ≥99.5%(GC) , CAS No.544-76-3

CAS: 544-76-3 Cat. No.: H103408 Fórmula: C₁₆H₃₄ Peso molecular: 226.44 Beilstein Registry Number: 1736592 Número EC: 208-878-9

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

HEXADECANE [HSDB] | EC 208-878-9 | hexadecan | Cetan | Hexadecane, p.a., 99% | Hexadecane, analytical standard | SY010655 | Pentadecane, methyl- | STL453674 | UNII-F8Z00SHP6Q | CHEBI:45296 | D97389 | Hexadecane-1-D 98 atom % d | S0288 | HEXADECANE [INCI]

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Descripción general

Hygroscopic. Miscible with ether, soluble in acetone, slightly soluble in hot ethanol, insoluble in water. Irritating. Median lethal dose (mice, intravenous) 518 mg/kg. Gas chromatography stationary phase (maximum operating temperature 50°C, solvent: toluene) for the separation and analysis of lower hydrocarbons and metal chlorides. Gas chromatography analytical standard. Solvent. Organic synthesis.

Specifications

Sinónimos

HEXADECANE [HSDB] | EC 208-878-9 | hexadecan | Cetan | Hexadecane, p.a., 99% | Hexadecane, analytical standard | SY010655 | Pentadecane, methyl- | STL453674 | UNII-F8Z00SHP6Q | CHEBI:45296 | D97389 | Hexadecane-1-D 98 atom % d | S0288 | HEXADECANE [INCI]

Especificaciones y pureza

analytical standard, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged,Desiccated

Enviado en

Normal

Grado

Analytical standard

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

528772316

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772316

Sonrisas canónicas

CCCCCCCCCCCCCCCC

IUPAC Name

hexadecane

InChIKey

DCAYPVUWAIABOU-UHFFFAOYSA-N

INCHI

1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Isómeros SMILES

CCCCCCCCCCCCCCCC

WGK Alemania

3

RTECS

ML9200000

Peso molecular

226.44

Beilstein

1736592

Reaxy-Rn

1736592

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736592&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: an alkane

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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, slightly soluble in ethanol, easily soluble in ether.
• Sensibilidad: Moisture Sensitive for argon
• Índice de refracción: 1.4345
• Punto de inflamación (°C): (closed cup)135℃
• Punto de ebullición (°C): 287°C
• Punto de fusión (°C): 18.17°C
• Peso molecular: 226.440 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 226.266 Da
• Monoisotopic Mass: 226.266 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 92.600
• 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