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CS-W001157 4
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Ethyl 3-methyl-5-cyclohexen-1-one-2-carboxylate

  • CAS No. 3419-32-7

  • Cat. No. CS-0210280
  • Molecule weight182.22
  • Purity95+%
  • MDL No.MFCD00134153

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

Ethyl 3-methyl-5-cyclohexen-1-one-2-carboxylate|CS-0210280

Structure of 3419-32-7

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General Information

  • CAS No. 3419-32-7
  • Cat. No. CS-0210280
  • Purity 95+%
  • MDL No. MFCD00134153
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₃
  • Molecular Weight 182.22
  • Synonym(s) Ethyl 6-methyl-2-oxocyclohex-3-enecarboxylate
  • SMILES CCOC(=O)C1C(C)CC=CC1=O

Synthesis

  • Route1

    References

    • Kryshtal; Zhdankina; Astakhova; Zlotin Russian Chemical Bulletin, 2004 , vol. 53, # 3 p. 647 - 651
  • Route2
    • null|null
      123-73-9
    • Ethyl 3-oxo-4-(triphenylphosphoranylidene)butanoate|CS-W009735
      13148-05-5
    • ~67%
    • Ethyl 3-methyl-5-cyclohexen-1-one-2-carboxylate|CS-0210280
      3419-32-7

    References

    • Moorhoff, Cornelis M.; Schneider, David F. Tetrahedron Letters, 1987 , vol. 28, # 40 p. 4721 - 4724
  • Route3

    References

    • Chong, Byong-Don; Ji, Tong-Il; Oh, Seong-Soo; Yang, Jae-Deuk; Baik, Woonphil; Koo, Sangho Journal of Organic Chemistry, 1997 , vol. <26> 62, p. 9323 - 9325

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   1.3308
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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