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CS-W001157 4
Total: USD 88.00

(3-Methylbutan-2-yl)benzene

  • CAS No. 4481-30-5

  • Cat. No. CS-0323121
  • Molecule weight148.24
  • Purity95+%
  • MDL No.None

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

(3-Methylbutan-2-yl)benzene|CS-0323121

Structure of 4481-30-5

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General Information

  • CAS No. 4481-30-5
  • Cat. No. CS-0323121
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆
  • Molecular Weight 148.24
  • Synonym(s) 2-Methyl-3-phenylbutane
  • SMILES CC(C)C(C)C1=CC=CC=C1

Synthesis

  • Route1
    • 3-Methylbut-1-en-2-ylbenzene|CS-0037106
      17498-71-4
    • ~99%
    • (3-Methylbutan-2-yl)benzene|CS-0323121
      4481-30-5

    References

    • Inagaki, Kohji; Ohta, Tetsuo; Nozaki, Kyoko; Takaya, Hidemasa Journal of Organometallic Chemistry, 1997 , vol. 531, # 1-2 p. 159 - 163
  • Route2
    • (3-Methylbut-2-en-2-yl)benzene|CS-0247746
      769-57-3
    • ~%
    • (3-Methylbutan-2-yl)benzene|CS-0323121
      4481-30-5

    References

    • Glattfeld; Milligan Journal of the American Chemical Society, 1920 , vol. 42, p. 2324 Full Text Show Details Glattfeld; Hopkins; Thurber Journal of the American Chemical Society, 1927 , vol. 49, p. 1040
  • Route3
    • null|null
      1257661-32-7
    • ~96%
    • (3-Methylbutan-2-yl)benzene|CS-0323121
      4481-30-5

    References

    • Nave, Stefan; Sonawane, Ravindra P.; Elford, Tim G.; Aggarwal, Varinder K. Journal of the American Chemical Society, 2010 , vol. 132, # 48 p. 17096 - 17098

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 3295
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.4461
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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