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CS-W001157 4
Total: USD 88.00

3-Methylbut-1-en-2-ylbenzene

  • CAS No. 17498-71-4

  • Cat. No. CS-0037106
  • Purity≥97%
  • MDL No.None

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

3-Methylbut-1-en-2-ylbenzene|CS-0037106

Structure of 17498-71-4

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General Information

  • CAS No. 17498-71-4
  • Cat. No. CS-0037106
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄
  • Molecular Weight 146.23
  • Synonym(s) (1-Isopropylvinyl)benzene
  • SMILES CC(C)C(=C)C1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      62837-59-6
    • ~84%
    • 3-Methylbut-1-en-2-ylbenzene|CS-0037106
      17498-71-4

    References

    • Bellesia, Franco; Ghelfi, Franco; Pagnoni, Ugo Maria; Pinetti, Adriano Gazzetta Chimica Italiana, 1992 , vol. 122, # 10 p. 437 - 439
  • Route2

    References

    • Bert, Katrien; Noel, Timothy; Kimpe, Wim; Goeman, Jan L.; Van Der Eycken, Johan Organic and Biomolecular Chemistry, 2012 , vol. 10, # 42 p. 8539 - 8550
  • Route3

    References

    • Adam, Waldemar; Bosio, Sara G.; Turro, Nicholas J.; Wolff, Barbara T. Journal of Organic Chemistry, 2004 , vol. 69, # 5 p. 1704 - 1715

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07,GHS09
Signal Word : Danger
UN#: 3295
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H411
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P273-P280-P302+P352-P362+P364-P370+P378-P391-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.3558
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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