4-Ethyl-m-xylene - ≥95%(GC) , CAS No.874-41-9

CAS: 874-41-9 Cat. No.: E156304 Formula: C₁₀H₁₄ Molecular Weight: 134.22 Beilstein Registry Number: 5(4)1070 EC Number: 212-860-6

GRADE & PURITY ≥95%(GC)

Synonyms

DTXSID0061246 | Q63409627 | MFCD00039905 | 1,3-DIMETHYL-4-ETHYLBENZENE | NSC74184 | NSC-74184 | 4-Ethyl-m-xylene | T73021 | NSC 74184 | 2,4-Dimethylethylbenzene | E0241 | EINECS 212-860-6 | AKOS006229179 | m-Xylene, 4-ethyl- | InChI=1/C10H14/c1-4-10-6-5-8

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID0061246 | Q63409627 | MFCD00039905 | 1,3-DIMETHYL-4-ETHYLBENZENE | NSC74184 | NSC-74184 | 4-Ethyl-m-xylene | T73021 | NSC 74184 | 2,4-Dimethylethylbenzene | E0241 | EINECS 212-860-6 | AKOS006229179 | m-Xylene, 4-ethyl- | InChI=1/C10H14/c1-4-10-6-5-8

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488181848
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181848
• Canonical Smiles: CCC1=C(C=C(C=C1)C)C
• IUPAC Name: 1-ethyl-2,4-dimethylbenzene
• InChIKey: MEMBJMDZWKVOTB-UHFFFAOYSA-N
• INCHI: 1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
• Isomeric SMILES: CCC1=C(C=C(C=C1)C)C
• Molecular Weight: 134.22
• Beilstein: 5(4)1070
• Reaxy-Rn: 2039097
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039097&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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

Chemical and Physical Properties

• x_refractive_index: 1.5
• x_flash_point_drop_centigrade: 60 °C
• x_boil_point_char: 186 °C
• Molecular Weight: 134.220 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 96.200
• 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

Frequently Asked Questions

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

This product is supplied at ≥95% 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 874-41-9, the molecular formula is C10H14, and the molecular weight is 134.22 g/mol. InChIKey MEMBJMDZWKVOTB-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.