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Pentyl 3-oxobutanoate

  • CAS No. 6624-84-6

  • Cat. No. CS-0454704
  • Molecule weight172.22
  • Purity≥98%
  • MDL No.None

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

Pentyl 3-oxobutanoate|CS-0454704

Structure of 6624-84-6

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General Information

  • CAS No. 6624-84-6
  • Cat. No. CS-0454704
  • 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) Pentyl Acetoacetate
  • SMILES CCCCCOC(=O)CC(=O)C

Synthesis

  • Route1

    References

    • Srinivas; Rajanna; Krishnaiah; Kumar, M. Satish; Reddy, J. Narender Synthesis and Reactivity in Inorganic, Metal-Organic and Nano-Metal Chemistry, 2014 , vol. 44, # 8 p. 1212 - 1220
  • Route2

    References

    • Yang, Jinhui; Ji, Congbin; Zhao, Yanmin; Li, Yunfeng; Jiang, Shizhi; Zhang, Zhiwei; Ji, Yongqiang; Liu, Wanyi Synthetic Communications, 2010 , vol. 40, # 7 p. 957 - 963
  • Route3
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    • Pentyl 3-oxobutanoate|CS-0454704
      6624-84-6

    References

    • Journal of the American Chemical Society, , vol. 69, p. 295

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   1.6989
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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