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CS-W001157 4
Total: USD 88.00

Ethyl 2-oxo-2-(2-oxocyclohexyl)acetate

  • CAS No. 5396-14-5

  • Cat. No. CS-M0077
  • Purity≥95%
  • MDL No.MFCD00463690

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

Ethyl 2-oxo-2-(2-oxocyclohexyl)acetate|CS-M0077

Structure of 5396-14-5

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General Information

  • CAS No. 5396-14-5
  • Cat. No. CS-M0077
  • Purity ≥95%
  • MDL No. MFCD00463690
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₄
  • Molecular Weight 198.22
  • Synonym(s) Ethyl oxo(2-oxocyclohexyl)acetate
  • SMILES O=C(C(OCC)=O)C(CCCC1)C1=O

Synthesis

  • Route1
    • null|null
      108-94-1
    • null|null
      95-92-1
    • ~69%
    • In-stock
      Ethyl 2-oxo-2-(2-oxocyclohexyl)acetate|CS-M0077
      5396-14-5

    References

    • NANYANG TECHNOLOGICAL UNIVERSITY; YOON, Ho Sup; LIU, Xuewei; AMARAVADHI, Venkata, Krishna, Harikishore Patent: WO2013/162469 A1, 2013 ; Location in patent: Paragraph 00220; 00221 ;
  • Route2
    • null|null
      95-92-1
    • ~95%
    • In-stock
      Ethyl 2-oxo-2-(2-oxocyclohexyl)acetate|CS-M0077
      5396-14-5

    References

    • Lagu, Bharat; Liotta, Fina; Pan, Meng; Wachter, Michael P.; Xia, Mingde Xia Patent: US2005/228034 A1, 2005 ; Location in patent: Page/Page column 99-100 ; US 20050228034 A1
  • Route3
    • null|null
      108-94-1
    • ~%
    • In-stock
      Ethyl 2-oxo-2-(2-oxocyclohexyl)acetate|CS-M0077
      5396-14-5

    References

    • Justus Liebigs Annalen der Chemie, , vol. 350, p. 210

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   0.8779
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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