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CS-W001157 4
Total: USD 88.00

6-(3,5-Dimethylphenyl)-6-oxohexanoic acid

  • CAS No. 857481-29-9

  • Cat. No. CS-0589284
  • Purity≥98%
  • MDL No.None

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

6-(3,5-Dimethylphenyl)-6-oxohexanoic acid|CS-0589284

Structure of 857481-29-9

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General Information

  • CAS No. 857481-29-9
  • Cat. No. CS-0589284
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈O₃
  • Molecular Weight 234.29
  • Synonym(s) None
  • SMILES CC1=CC(=CC(=C1)C(=O)CCCCC(=O)O)C

Synthesis

  • Route1
    • null|null
      854714-00-4
    • ~%
    • 6-(3,5-Dimethylphenyl)-6-oxohexanoic acid|CS-0589284
      857481-29-9

    References

    • Journal of the American Chemical Society, , vol. 76, p. 5462,5465
  • Route2
    • null|null
      34696-73-6
    • ~%
    • 6-(3,5-Dimethylphenyl)-6-oxohexanoic acid|CS-0589284
      857481-29-9

    References

    • Journal of the American Chemical Society, , vol. 76, p. 5462,5465

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   3.13114
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   6

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