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CS-W001157 4
Total: USD 88.00

1-(3,4-Dimethoxy-5-methylphenyl)ethan-1-one

  • CAS No. 80547-76-8

  • Cat. No. CS-0263745
  • Purity≥98%
  • MDL No.None

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

1-(3,4-Dimethoxy-5-methylphenyl)ethan-1-one|CS-0263745

Structure of 80547-76-8

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General Information

  • CAS No. 80547-76-8
  • Cat. No. CS-0263745
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₃
  • Molecular Weight 194.23
  • Synonym(s) Ethanone, 1-(3,4-dimethoxy-5-methylphenyl)-
  • SMILES CC(C1=CC(C)=C(OC)C(OC)=C1)=O

Synthesis

  • Route1
    • 1-(3,4-Dihydroxy-5-methylphenyl)ethan-1-one|CS-0970946
      80547-86-0
    • null|null
      77-78-1
    • ~85%
    • 1-(3,4-Dimethoxy-5-methylphenyl)ethan-1-one|CS-0263745
      80547-76-8

    References

    • Borchardt, Ronald T.; Bhatia, Pramila Journal of Medicinal Chemistry, 1982 , vol. 25, # 3 p. 263 - 271
  • Route2
    • null|null
      35236-40-9
    • ~%
    • 1-(3,4-Dimethoxy-5-methylphenyl)ethan-1-one|CS-0263745
      80547-76-8

    References

    • Borchardt, Ronald T.; Bhatia, Pramila Journal of Medicinal Chemistry, 1982 , vol. 25, # 3 p. 263 - 271
  • Route3

    References

    • Borchardt, Ronald T.; Bhatia, Pramila Journal of Medicinal Chemistry, 1982 , vol. 25, # 3 p. 263 - 271

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

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.21482
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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