1,4-Dioctylbenzene - ≥95% , CAS No.10541-38-5

CAS: 10541-38-5 Cat. No.: D467032 Formula: C₂₂H₃₈ Peso molecolare: 302.54 Numero EC: 623-380-5

GRADE & PURITY ≥95%

Synonyms

p-Dioctylbenzene | AKOS015889142 | DTXSID70453600 | Benzene, 1,4-dioctyl- | 1,4-Dioctylbenzene | 1 4-DIOCTYLBENZENE 95 | 1,4-Dioctylbenzene, 95%

Storage

Room temperature

Panoramica

Description

1,4-Dioctylbenzene can be synthesized by treating 1,4-dichlorobenzene with a suitable grignard reagent like octyl magnesium bromide and 1-bromooctane.

Specifications

Sinonimi

p-Dioctylbenzene | AKOS015889142 | DTXSID70453600 | Benzene, 1,4-dioctyl- | 1,4-Dioctylbenzene | 1 4-DIOCTYLBENZENE 95 | 1,4-Dioctylbenzene, 95%

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCCCCCCCC1=CC=C(C=C1)CCCCCCCC
• IUPAC Name: 1,4-dioctylbenzene
• InChIKey: WNLMYIPOMNQVLC-UHFFFAOYSA-N
• INCHI: 1S/C22H38/c1-3-5-7-9-11-13-15-21-17-19-22(20-18-21)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
• Isomeri SMILES: CCCCCCCCC1=CC=C(C=C1)CCCCCCCC
• WGK Germania: 3
• Peso molecolare: 302.54
• Reaxy-Rn: 2558115
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2558115&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Peso molecolare: 302.500 g/mol
• XLogP3: 10.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 302.297 Da
• Monoisotopic Mass: 302.297 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 188.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 10541-38-5, the molecular formula is C22H38, and the molecular weight is 302.54 g/mol. InChIKey WNLMYIPOMNQVLC-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.