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CS-W001157 4
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Pentan-3-yl 3-oxobutanoate

  • CAS No. 13562-81-7

  • Cat. No. CS-0445426
  • Purity≥98%
  • MDL No.None

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

Pentan-3-yl 3-oxobutanoate|CS-0445426

Structure of 13562-81-7

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General Information

  • CAS No. 13562-81-7
  • Cat. No. CS-0445426
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₃
  • Molecular Weight 172.22
  • Synonym(s) Acetoacetic Acid 3-Pentyl Ester
  • SMILES CCC(CC)OC(=O)CC(=O)C

Synthesis

  • Route1

    References

    • Soleil,J.; Loppinet,V. Chimica Therapeutica, 1966 , vol. 1, p. 309 - 313

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-H315-H319
Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.6973
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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