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3-Methylbut-2-en-1-yl benzoate

  • CAS No. 5205-11-8

  • Cat. No. CS-0155164
  • Purity≥98%
  • MDL No.None

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

3-Methylbut-2-en-1-yl benzoate|CS-0155164

Structure of 5205-11-8

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General Information

  • CAS No. 5205-11-8
  • Cat. No. CS-0155164
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₂
  • Molecular Weight 190.24
  • Synonym(s) Prenyl benzoate
  • SMILES CC(=CCOC(=O)C1=CC=CC=C1)C

Synthesis

  • Route1

    References

    • Moore, Joel D.; Byrne, Robert J.; Vedantham, Punitha; Flynn, Daniel L.; Hanson, Paul R. Organic Letters, 2003 , vol. 5, # 23 p. 4241 - 4244
  • Route2

    References

    • Fleming, Ian; Higgins, Dick; Lawrence, Nicholas J.; Thomas, Andrew P. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992 , # 24 p. 3331 - 3350
  • Route3
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      187884-26-0
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    • 3-Methylbut-2-en-1-yl benzoate|CS-0155164
      5205-11-8

    References

    • Journal of the Chemical Society - Perkin Transactions 1, , # 1 p. 5 - 10

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H401-H411
Precautionary Statements : P273-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8096
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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