Heptacosane - ≥96% , CAS No.593-49-7

CAS: 593-49-7 Cat. No.: H708337 Formule: C₂₇H₅₆ Poids moléculaire: 380.75 Numéro CE: 209-792-4

GRADE & PURITY ≥96%

Synonyms

n-Heptacosane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

n-Heptacosane

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Sourires canoniques: CCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: heptacosane
• InChIKey: BJQWYEJQWHSSCJ-UHFFFAOYSA-N
• INCHI: 1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
• Isomères SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Allemagne: 3
• Poids moléculaire: 380.75
• Reaxy-Rn: 1706242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1706242&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Solubility in hot Toluene almost transparency
• Point d'éclair (°F): 248 °F
• Point d'éclair (°C): 120 °C
• Point d'ébullition (°C): 270°/15mm Hg
• Point de fusion (°C): 58-60°C
• Poids moléculaire: 380.700 g/mol
• XLogP3: 14.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 24
• Exact Mass: 380.438 Da
• Monoisotopic Mass: 380.438 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 208.000
• 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

Références

1. Lina Pan, Wenfang Gao, Xinyu Liu, Dongyu Qin, Tiantian Zhang, Rui Ren, Weiyi Zhang, Meidi Sun, Cuiqing Gao, Penghua Bai, Wei You, Gengping Zhu, Min Li.  (2023)  Parasitoids as taxonomists: how does the parasitoid Chouioia cunea distinguish between a host and a non-host?.  PEST MANAGEMENT SCIENCE,  79  (11): (4547-4556).  [PMID:37427488] [10.1002/ps.7656]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 593-49-7, the molecular formula is C27H56, and the molecular weight is 380.75 g/mol. InChIKey BJQWYEJQWHSSCJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.