Tetracontane - ≥97% , CAS No.4181-95-7

CAS: 4181-95-7 Cat. No.: T161708 分子式: C₄₀H₈₂ 分子量: 563.1 EC番号: 224-055-7 PubChem CID: 20149

GRADE & PURITY ≥97%

Synonyms

DTXSID2063341 | n-Tetracontane | C4F1723F-8A7B-4248-A951-73F06DE9834E | KUPLEGDPSCCPJI-UHFFFAOYSA-N | AI3-36490 | Tetracontane, >=95.0% (GC) | (4-PHENOXYPHENOXY)ACETICACID | Q151239 | Tetracontane; n-Tetracontane | FT-0767531 | TETRACONTANE | Tetracontane

Storage

Room temperature

Shipped In

Normal

概要

Tetracontane is a long chain n-alkane that has been used as a prototype of linear polyethylene to understand the phase behavior of polymer solution.

Specifications

同義語

DTXSID2063341 | n-Tetracontane | C4F1723F-8A7B-4248-A951-73F06DE9834E | KUPLEGDPSCCPJI-UHFFFAOYSA-N | AI3-36490 | Tetracontane, >=95.0% (GC) | (4-PHENOXYPHENOXY)ACETICACID | Q151239 | Tetracontane; n-Tetracontane | FT-0767531 | TETRACONTANE | Tetracontane

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488182590

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182590

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

IUPAC Name

tetracontane

InChIKey

KUPLEGDPSCCPJI-UHFFFAOYSA-N

INCHI

1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3

異性体SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

WGKドイツ

3

PubChem CID

20149

分子量

563.1

Reaxy-Rn

1800152

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: Not available

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 chloroform. Slightly soluble in methanol.Insoluble in water.
• 沸点（°C）: 150°/0.001mm
• 融点（°C）: 82 °C
• 分子量: 563.100 g/mol
• XLogP3: 21.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 37
• Exact Mass: 562.642 Da
• Monoisotopic Mass: 562.642 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 361.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% 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 4181-95-7, the molecular formula is C40H82, and the molecular weight is 563.1 g/mol. InChIKey KUPLEGDPSCCPJI-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.