Pentacosane - analytical standard, ≥99%(GC) , CAS No.629-99-2

CAS: 629-99-2 Cat. No.: P106085 分子式: C₂₅H₅₂ 分子量: 352.68 Beilstein Registry Number: 1763638 EC番号: 211-123-6

GRADE & PURITY Analytical standard, ≥99%(GC)

Synonyms

EINECS 211-123-6 | HY-N7494 | UNII-BON9H94Y8V | Pentacosane, analytical standard | BON9H94Y8V | AKOS015843190 | DTXCID7043584 | DTXSID2060882 | Pentacosane, 99% | FT-0632671 | AI3-36478 | PENTACOSANE | n-Pentacosane | 2A4605C9-A088-458C-AD58-AA987FF6C408

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

EINECS 211-123-6 | HY-N7494 | UNII-BON9H94Y8V | Pentacosane, analytical standard | BON9H94Y8V | AKOS015843190 | DTXCID7043584 | DTXSID2060882 | Pentacosane, 99% | FT-0632671 | AI3-36478 | PENTACOSANE | n-Pentacosane | 2A4605C9-A088-458C-AD58-AA987FF6C408

仕様と純度

analytical standard, ≥99%(GC)

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99%(GC)

名前と識別子

• パブケム・シド: 528769590
• カノニカル・スマイル: CCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: pentacosane
• InChIKey: YKNWIILGEFFOPE-UHFFFAOYSA-N
• INCHI: 1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
• 異性体SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC
• WGKドイツ: 3
• 分子量: 352.68
• Beilstein: 1763638
• Reaxy-Rn: 1763638
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1763638&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Benzene
• 屈折率: 1.4478
• 引火点（°F）: 248 °F
• 引火点（°C）: 120 °C
• 沸点（°C）: 254 °C/15 mmHg
• 融点（°C）: 53.3°C
• 分子量: 352.700 g/mol
• XLogP3: 13.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 22
• Exact Mass: 352.407 Da
• Monoisotopic Mass: 352.407 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 186.000
• 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

参考文献

1. Xingming Lin, Xiangxin Cui, Jihong Tang, Jiawei Zhu, Jinhua Li.  (2023)  Predation Risk Effects of Lady Beetle Menochilus sexmaculatus (Fabricius) on the Melon Aphid, Aphis gossypii Glover.  Insects,  15  (1): (13).  [PMID:38249019] [10.3390/insects15010013]