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

CAS: 629-99-2 Cat. No.: P106085 Formula: C₂₅H₅₂ Molecular Weight: 352.68 Beilstein Registry Number: 1763638 EC Number: 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

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

Specifications & Purity

analytical standard, ≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 528769590
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Germany: 3
• Molecular Weight: 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
    • 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
• Refractive Index: 1.4478
• Flash Point(°F): 248 °F
• Flash Point(°C): 120 °C
• Boil Point(°C): 254 °C/15 mmHg
• Melt Point(°C): 53.3°C
• Molecular Weight: 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

References

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]