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CS-W001157 4
Total: USD 88.00

4-Oxo-1-phenylcyclohexane-1-carboxylic acid

  • CAS No. 75945-91-4

  • Cat. No. CS-0455578
  • Molecule weight218.25
  • Purity≥98%
  • MDL No.None

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

4-Oxo-1-phenylcyclohexane-1-carboxylic acid|CS-0455578

Structure of 75945-91-4

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General Information

  • CAS No. 75945-91-4
  • Cat. No. CS-0455578
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₃
  • Molecular Weight 218.25
  • Synonym(s) 4-Oxo-1-phenylcyclohexanecarboxylic acid
  • SMILES C1=CC=C(C=C1)C2(CCC(=O)CC2)C(=O)O

Synthesis

  • Route1
    • null|null
      374794-40-8
    • ~10%
    • 4-Oxo-1-phenylcyclohexane-1-carboxylic acid|CS-0455578
      75945-91-4

    References

    • Castro Pineiro, Jose Luis; Dinnell, Kevin; Elliott, Jason Matthew; Hollingworth, Gregory John; Shaw, Duncan Edward; Swain, Christopher John Patent: US2003/236250 A1, 2003 ; Location in patent: Page 20 ;
  • Route2
    • null|null
      951314-25-3
    • ~99%
    • 4-Oxo-1-phenylcyclohexane-1-carboxylic acid|CS-0455578
      75945-91-4

    References

    • Pineiro, Jose Luis Castro; Dinnell, Kevin; Elliott, Jason Matthew; Hollingworth, Gregory John; Shaw, Duncan Edward; Swain, Christopher John; Yang, Lihu Patent: US2003/225059 A1, 2003 ; Location in patent: Page 21 ;
  • Route3
    • 4-Oxo-1-phenylcyclohexanecarbonitrile|CS-W010507
      25115-74-6
    • ~%
    • 4-Oxo-1-phenylcyclohexane-1-carboxylic acid|CS-0455578
      75945-91-4

    References

    • Pharmacia and Upjohn AB Patent: US6124354 A1, 2000 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.1521
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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