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CS-W001157 4
Total: USD 88.00

Butyl 3-oxobutanoate

  • CAS No. 591-60-6

  • Cat. No. CS-0326913
  • Purity≥98%
  • MDL No.MFCD00059252

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

Butyl 3-oxobutanoate|CS-0326913

Structure of 591-60-6

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General Information

  • CAS No. 591-60-6
  • Cat. No. CS-0326913
  • Purity ≥98%
  • MDL No. MFCD00059252
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.19
  • Synonym(s) Butyl acetoacetate
  • SMILES CCCCOC(=O)CC(=O)C

Synthesis

  • Route1

    References

    • Council of Scientific and Industrial Research Patent: US6376701 B1, 2002 ;
  • Route2

    References

    • De Sairre, Mirela Ines; Bronze-Uhle, Erika Soares; Donate, Paulo Marcos Tetrahedron Letters, 2005 , vol. 46, # 15 p. 2705 - 2708
  • Route3

    References

    • Bandgar; Sadavarte; Uppalla Journal of Chemical Research - Part S, 2001 , # 1 p. 16 - 17

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H316
Precautionary Statements : P210-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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