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CS-W001157 4
Total: USD 88.00

Octyl 3-oxobutanoate

  • CAS No. 16436-00-3

  • Cat. No. CS-0333926
  • Molecule weight214.30
  • Purity≥98%
  • MDL No.None

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

Octyl 3-oxobutanoate|CS-0333926

Structure of 16436-00-3

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General Information

  • CAS No. 16436-00-3
  • Cat. No. CS-0333926
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂O₃
  • Molecular Weight 214.30
  • Synonym(s) Octyl acetoacetate
  • SMILES CCCCCCCCOC(=O)CC(=O)C

Synthesis

  • Route1

    References

    • Inahashi, Nobuyuki; Fujiwara, Takashi; Sato, Tsuneo Synlett, 2008 , # 4 p. 605 - 607
  • Route2

    References

    • Doyle, Michael P.; Westrum, Larry J.; Wolthuis, Wendelmoed N. E.; See, Marjorie M.; Boone, William P.; Bagheri, Vahid; Pearson, Matthew M. Journal of the American Chemical Society, 1993 , vol. 115, # 3 p. 958 - 964
  • Route3

    References

    • Ratti, Rajni; Kaur, Sukhbir; Vaultier, Michel; Singh, Vasundhara Catalysis Communications, 2010 , vol. 11, # 6 p. 503 - 507

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.8692
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   9

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