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CS-W001157 4
Total: USD 88.00

(3-Methylbut-2-en-2-yl)benzene

  • CAS No. 769-57-3

  • Cat. No. CS-0247746
  • Purity≥95%
  • MDL No.MFCD00101603

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

(3-Methylbut-2-en-2-yl)benzene|CS-0247746

Structure of 769-57-3

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General Information

  • CAS No. 769-57-3
  • Cat. No. CS-0247746
  • Purity ≥95%
  • MDL No. MFCD00101603
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄
  • Molecular Weight 146.23
  • Synonym(s) Trimethylstyrene
  • SMILES CC(C1=CC=CC=C1)=C(C)C

Synthesis

  • Route1
    • null|null
      3017-70-7
    • null|null
      591-51-5
    • ~80%
    • (3-Methylbut-2-en-2-yl)benzene|CS-0247746
      769-57-3

    References

    • Giannerini, Massimo; Fananas-Mastral, Martin; Feringa, Ben L. Nature Chemistry, 2013 , vol. 5, # 8 p. 667 - 672
  • Route2
    • null|null
      79238-98-5
    • ~68%
    • (3-Methylbut-2-en-2-yl)benzene|CS-0247746
      769-57-3
    • null|null
      18321-36-3

    References

    • Fleming, Ian; Patel, Shailesh K.; Urch, Christopher J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989 , p. 115 - 124
  • Route3

    References

    • Waser, Jerome; Carreira, Erick M. Angewandte Chemie - International Edition, 2004 , vol. 43, # 31 p. 4099 - 4102 Title/Abstract View citing articles Show Details Waser, Jerome; Gaspar, Boris; Nambu, Hisanori; Carreira, Erick M. Journal of the American Chemical Society, 2006 , vol. 128, # 35 p. 11693 - 11712

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H332-H335-H412
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.4999
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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