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CS-W001157 4
Total: USD 88.00

(E)-Ethyl 2-methylbut-2-enoate

  • CAS No. 5837-78-5

  • Cat. No. CS-0186102
  • Purity≥97%
  • MDL No.MFCD00015183

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

(E)-Ethyl 2-methylbut-2-enoate|CS-0186102

Structure of 5837-78-5

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General Information

  • CAS No. 5837-78-5
  • Cat. No. CS-0186102
  • Purity ≥97%
  • MDL No. MFCD00015183
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₂
  • Molecular Weight 128.17
  • Synonym(s) Tiglic Acid Ethyl Ester
  • SMILES C/C=C(\C)/C(=O)OCC

Synthesis

  • Route1
    • Tiglic acid, ≥99%|CS-1269155
      80-59-1
    • null|null
      64-17-5
    • ~91%
    • (E)-Ethyl 2-methylbut-2-enoate|CS-0186102
      5837-78-5

    References

    • Duke, Rujee K.; Chebib, Mary; Hibbs, David E.; Mewett, Kenneth N.; Johnston, Graham A.R. Tetrahedron Asymmetry, 2004 , vol. 15, # 11 p. 1745 - 1751
  • Route2
    • null|null
      547-65-9
    • null|null
      64-17-5
    • ~7%
    • 3-Methyl-2(5H)-furanone|CS-0204540
      22122-36-7
    • (E)-Ethyl 2-methylbut-2-enoate|CS-0186102
      5837-78-5

    References

    • Journal of Natural Products, , vol. 67, # 8 p. 1383 - 1386
  • Route3
    • null|null
      83219-80-1
    • ~%
    • (E)-Ethyl 2-methylbut-2-enoate|CS-0186102
      5837-78-5

    References

    • Journal of Organic Chemistry, , vol. 47, # 24 p. 4713 - 4717

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.5157
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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