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CS-W001157 4
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α-Cyclohexyl-benzeneacetic Acid

  • CAS No. 3894-09-5

  • Cat. No. CS-0043388
  • Purity≥98%
  • MDL No.MFCD00001477

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

α-Cyclohexyl-benzeneacetic Acid|CS-0043388

Structure of 3894-09-5

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General Information

  • CAS No. 3894-09-5
  • Cat. No. CS-0043388
  • Purity ≥98%
  • MDL No. MFCD00001477
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈O₂
  • Molecular Weight 218.29
  • Synonym(s) Cyclohexylphenylacetic acid
  • SMILES O=C(O)C(C1CCCCC1)C2=CC=CC=C2

Synthesis

  • Route1
    • 2-Cyclohexyl-2-phenylacetonitrile|CS-0206322
      3893-23-0
    • ~%
    • α-Cyclohexyl-benzeneacetic Acid|CS-0043388
      3894-09-5

    References

    • Hey; Musgrave Journal of the Chemical Society, 1949 , p. 3156,3160 Full Text Show Details Vasiliu Bulet. Soc. Chim. Romania, 1937 , vol. 19, p. 75,83
  • Route2

    References

    • Brun, Eva M.; Gil, Salvador; Mestres, Ramon; Parra, Margarita Synthesis, 2000 , # 8 p. 1160 - 1165
  • Route3

    References

    • Milne, Jacqueline E.; Storz, Thomas; Colyer, John T.; Thiel, Oliver R.; Dilmeghani Seran, Mina; Larsen, Robert D.; Murry, Jerry A. Journal of Organic Chemistry, 2011 , vol. 76, # 22 p. 9519 - 9524

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.4351
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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