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CS-W001157 4
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Heptyl 3-oxobutanoate

  • CAS No. 42598-96-9

  • Cat. No. CS-0452463
  • Molecule weight200.27
  • Purity≥98%
  • MDL No.None

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

Heptyl 3-oxobutanoate|CS-0452463

Structure of 42598-96-9

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General Information

  • CAS No. 42598-96-9
  • Cat. No. CS-0452463
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀O₃
  • Molecular Weight 200.27
  • Synonym(s) Heptyl acetoacetate
  • SMILES CCCCCCCOC(=O)CC(=O)C

Synthesis

  • Route1

    References

    • Clemens, Robert J.; Hyatt, John A. Journal of Organic Chemistry, 1985 , vol. 50, # 14 p. 2431 - 2435
  • Route2

    References

    • Radha, N.; Kamala, V. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1995 , vol. 34, # 5 p. 399 - 403

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.4791
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   8

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