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CS-W001157 4
Total: USD 88.00

4-Methylethylbenzene

  • CAS No. 622-96-8

  • Cat. No. CS-W013573
  • Purity≥98%
  • MDL No.MFCD00009263

*For research and further manufacturing use only, not for direct human use.

4-Methylethylbenzene|CS-W013573

Structure of 622-96-8

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General Information

  • CAS No. 622-96-8
  • Cat. No. CS-W013573
  • Purity ≥98%
  • MDL No. MFCD00009263
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂
  • Molecular Weight 120.20
  • Synonym(s) None
  • SMILES C=1C=C(C=CC1C)CC

Description

1-Ethyl-4-methylbenzene is a para-substituted alkylbenzene featuring an ethyl and methyl group on opposite sides of the aromatic ring. This symmetric substitution imparts enhanced stability and favorable solubility in nonpolar solvents. The molecule serves as a robust scaffold for synthetic transformations, particularly in pharmaceutical intermediates and specialty polymer synthesis.

Application

1-Ethyl-4-methylbenzene serves as a valuable aromatic building block in synthetic organic chemistry, offering predictable regiochemistry and enhanced solubility compared to simpler alkylbenzenes. Its ortho-substituted ethyl and methyl groups provide steric and electronic modulation, enabling controlled functionalization in electrophilic substitution reactions. The compound exhibits excellent bench stability and facilitates straightforward purification via distillation or column chromatography, making it well-suited for use in medicinal chemistry lead optimization and process-scale synthesis.

Synthesis

  • Route1
    • null|null
      622-97-9
    • ~99%
    • In-stock
      4-Methylethylbenzene|CS-W013573
      622-96-8

    References

    • Angewandte Chemie - International Edition, , vol. 53, # 14 p. 3722 - 3726 Angew. Chem., , vol. 126, # 14 p. 3796 - 3800,5
  • Route2
    • null|null
      622-97-9
    • null|null
      201230-82-2
    • ~%
    • In-stock
      4-Methylethylbenzene|CS-W013573
      622-96-8
    • null|null
      33596-66-6
    • null|null
      5406-12-2

    References

    • Helvetica Chimica Acta, , vol. 89, # 8 p. 1547 - 1558
  • Route3
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~10%
    • In-stock
      4-Methylethylbenzene|CS-W013573
      622-96-8

    References

    • Advanced Synthesis and Catalysis, , vol. 355, # 2-3 p. 341 - 347

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS08
Signal Word : Danger
UN#: 3295
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H304
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P331-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.55742
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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