Tricosane - ≥98% , CAS No.638-67-5

CAS: 638-67-5 Cat. No.: T108940 Peso molecular: 324.63 Beilstein Registry Number: 1756000 Número EC: 211-347-4 PubChem CID: 12534

GRADE & PURITY ≥98%

Synonyms

?N-TRICOSANE | EINECS 211-347-4 | TRICOSANE | Docosane, methyl- | Tricosane, 99% | DTXCID5027697 | CH3-[CH2]21-CH3 | Tricosane; NSC 78487; n-Tricosane | D3CD819C-C009-4DE8-8A12-BEFA098575B2 | T166B8R1VC | TRICOSANE [STANDARD MATERIAL FOR GC] | AS-56122 |

Storage

Room temperature

Shipped In

Normal

Descripción general

Two, solid, bilayer phases of the tricosane have been investigated by molecular-dynamics calculations..

Specifications

Sinónimos

?N-TRICOSANE | EINECS 211-347-4 | TRICOSANE | Docosane, methyl- | Tricosane, 99% | DTXCID5027697 | CH3-[CH2]21-CH3 | Tricosane; NSC 78487; n-Tricosane | D3CD819C-C009-4DE8-8A12-BEFA098575B2 | T166B8R1VC | TRICOSANE [STANDARD MATERIAL FOR GC] | AS-56122 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181694
• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: tricosane
• InChIKey: FIGVVZUWCLSUEI-UHFFFAOYSA-N
• INCHI: 1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCCCCCC
• WGK Alemania: 3
• PubChem CID: 12534
• Peso molecular: 324.63
• Beilstein: 1756000
• Reaxy-Rn: 1756000

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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 199-200°C
• Punto de fusión (°C): 46-47°C
• Peso molecular: 324.600 g/mol
• XLogP3: 12.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 20
• Exact Mass: 324.376 Da
• Monoisotopic Mass: 324.376 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 164.000
• 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

Referencias

1. Jinhao Zhao, Minmin Liang, Zhongyan Wang, Yanyan Zhao, Jingli Cheng, Yongjun Du.  (2022)  Evaluation and optimization of blends for attracting Trichogramma dendrolimi based on semiochemicals mediating tritrophic interactions in the orchard habitat.  BIOLOGICAL CONTROL,      [PMID:] [10.1016/j.biocontrol.2022.104998]

2. Jian Sui, Shi Qi Zhang, Min Zhai, Fang Tian, Jian Zhang, Xiao Zheng Lan.  (2017)  Polymorphism of a hexadecane–heptadecane binary system in nanopores.  RSC Advances,  7  (18): (10737-10747).  [PMID:] [10.1039/C6RA28210E]