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CS-W001157 4
Total: USD 88.00

1-Ethyl-4-isobutylbenzene

  • CAS No. 100319-40-2

  • Cat. No. CS-0161702
  • Purity≥97%
  • MDL No.MFCD08275587

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

1-Ethyl-4-isobutylbenzene|CS-0161702

Structure of 100319-40-2

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General Information

  • CAS No. 100319-40-2
  • Cat. No. CS-0161702
  • Purity ≥97%
  • MDL No. MFCD08275587
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈
  • Molecular Weight 162.27
  • Synonym(s) IBUPROFEN IMP B2
  • SMILES CC(C)CC1=CC=C(CC)C=C1

Synthesis

  • Route1
    • 4'-Isobutylacetophenone Ibuprofen Impurity|CS-0228883
      38861-78-8
    • ~%
    • 1-Ethyl-4-isobutylbenzene|CS-0161702
      100319-40-2

    References

    • Zaccheria, Federica; Ravasio, Nicoletta; Ercoli, Mauro; Allegrini, Pietro Tetrahedron Letters, 2005 , vol. 46, # 45 p. 7743 - 7745
  • Route2
    • null|null
      96824-27-0
    • ~%
    • 1-Ethyl-4-isobutylbenzene|CS-0161702
      100319-40-2

    References

    • Yoneda, Ryuji; Osaki, Hirotaka; Harusawa, Shinya; Kurihara, Takushi Chemical & Pharmaceutical Bulletin, 1989 , vol. 37, # 10 p. 2817 - 2818
  • Route3
    • null|null
      201230-82-2
    • 1-Ethenyl-4-(2-methylpropyl)benzene|CS-0238301
      63444-56-4
    • ~%
    • 1-Ethyl-4-isobutylbenzene|CS-0161702
      100319-40-2
    • null|null
      110773-62-1
    • null|null
      114937-27-8
    • null|null
      40764-03-2

    References

    • Toth, Imre; Elsevier, Cornelis J.; De Vries, Johannes G.; Bakos, Jozsef; Smeets, Wilberth J. J.; Spek, Anthony L. Journal of Organometallic Chemistry, 1997 , vol. 540, # 1-2 p. 15 - 25

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.4475
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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