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CS-W001157 4
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Ethyl 2-acetyloctanoate

  • CAS No. 29214-60-6

  • Cat. No. CS-0450570
  • Molecule weight214.30
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-acetyloctanoate|CS-0450570

Structure of 29214-60-6

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General Information

  • CAS No. 29214-60-6
  • Cat. No. CS-0450570
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂O₃
  • Molecular Weight 214.30
  • Synonym(s) n-Hexylacetoacetic acid ethyl ester
  • SMILES CCCCCCC(C(=O)C)C(=O)OCC

Synthesis

  • Route1

    References

    • Kathuria, Abha; Gupta, Anjali; Priya, Nivedita; Singh, Prabhjot; Raj, Hanumantharao G.; Prasad, Ashok K.; Parmar, Virinder S.; Sharma, Sunil K. Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 4 p. 1550 - 1556
  • Route2
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    • Ethyl 2-acetyloctanoate|CS-0450570
      29214-60-6

    References

    • Mallinckrodt Chem. Works Patent: US2358768 , 1941 ; Full Text Show Details Wallingford; Thorpe; Homeyer Journal of the American Chemical Society, 1942 , vol. 64, p. 581
  • Route3

    References

    • Givaudan Roure (International) SA Patent: US6348618 B1, 2002 ; Location in patent: Page column 13 ;

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-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.7251
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   8

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