Tricosane - analytical standard, ≥99.5%(GC) , CAS No.638-67-5

CAS: 638-67-5 Cat. No.: T108941 Molecular Weight: 324.63 Beilstein Registry Number: 1756000 EC Number: 211-347-4 PubChem CID: 12534

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

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

Specifications

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 |

Specifications & Purity

analytical standard, ≥99.5%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99.5%(GC)

Names and Identifiers

• Pubchem Sid: 504752365
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752365
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCC
• WGK Germany: 3
• PubChem CID: 12534
• Molecular Weight: 324.63
• Beilstein: 1756000
• Reaxy-Rn: 1756000

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Benzene
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 199-200°C
• Melt Point(°C): 46-47°C
• Molecular Weight: 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

References

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]