Pentadecylbenzene - ≥98%(GC) , CAS No.2131-18-2

CAS: 2131-18-2 Cat. No.: P160382 Summenformel: C₂₁H₃₆ Molekulargewicht: 288.52 Beilstein Registry Number: 5(3)1119 EG-Nummer: 218-352-0 PubChem CID: 16476

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID5051860 | J-013981 | FLW4P997AO | Pentadecyl benzene | CAA13118 | NSC 88949 | N-PENTADECYLBENZENE [HSDB] | P0665 | UNII-FLW4P997AO | AKOS024319282 | Pentadecane, 1-phenyl- | 1-Phenylpentadecane, analytical standard | Pentadecane, 1-phenyl- (8CI) | H

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID5051860 | J-013981 | FLW4P997AO | Pentadecyl benzene | CAA13118 | NSC 88949 | N-PENTADECYLBENZENE [HSDB] | P0665 | UNII-FLW4P997AO | AKOS024319282 | Pentadecane, 1-phenyl- | 1-Phenylpentadecane, analytical standard | Pentadecane, 1-phenyl- (8CI) | H

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488182251
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182251
• Kanonisches Lächeln: CCCCCCCCCCCCCCCC1=CC=CC=C1
• IUPAC Name: pentadecylbenzene
• InChIKey: JIRNEODMTPGRGV-UHFFFAOYSA-N
• INCHI: 1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3
• Isomere SMILES: CCCCCCCCCCCCCCCC1=CC=CC=C1
• PubChem CID: 16476
• Molekulargewicht: 288.52
• Beilstein: 5(3)1119
• Reaxy-Rn: 1911130

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.48
• Flammpunkt (°C): 167 °C
• Siedepunkt (°C): 373°C(lit.)
• Schmelzpunkt (°C): 12 °C
• Molekulargewicht: 288.500 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 288.282 Da
• Monoisotopic Mass: 288.282 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 190.000
• 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

Häufig gestellte Fragen

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

The CAS Number is 2131-18-2, the molecular formula is C21H36, and the molecular weight is 288.52 g/mol. InChIKey JIRNEODMTPGRGV-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 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.