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CS-W001157 4
Total: USD 88.00

1-(p-Tolyl)butan-1-one

  • CAS No. 4160-52-5

  • Cat. No. CS-W010856
  • Purity≥97%
  • MDL No.MFCD00027139

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

1-(p-Tolyl)butan-1-one|CS-W010856

Structure of 4160-52-5

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General Information

  • CAS No. 4160-52-5
  • Cat. No. CS-W010856
  • Purity ≥97%
  • MDL No. MFCD00027139
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O
  • Molecular Weight 162.23
  • Synonym(s) 4-METHYLBUTYROPHENONE
  • SMILES CCCC(C1=CC=C(C)C=C1)=O

Synthesis

  • Route1
    • null|null
      201230-82-2
    • In-stock
      1-Iodo-4-methylbenzene|CS-W009210
      624-31-7
    • null|null
      107-08-4
    • ~89%
    • 1-(p-Tolyl)butan-1-one|CS-W010856
      4160-52-5

    References

    • Tamaru, Yoshinao; Ochiai, Hirofumi; Yamada, Yoshimi; Yoshida, Zen-ichi Tetrahedron Letters, 1983 , vol. 24, # 36 p. 3869 - 3872
  • Route2
    • 1-(P-tolyl)butan-1-ol|CS-0552079
      6282-37-7
    • ~%
    • 1-(p-Tolyl)butan-1-one|CS-W010856
      4160-52-5

    References

    • AMBRX, INC. Patent: WO2008/83346 A1, 2008 ; Location in patent: Page/Page column 171 ;
  • Route3
    • In-stock
      Cyclopropyl(4-methylphenyl)methanone|CS-0234510
      7143-76-2
    • ~11%
    • 1-(p-Tolyl)butan-1-one|CS-W010856
      4160-52-5
    • null|null
      138354-26-4
    • null|null
      138354-25-3
    • null|null
      138354-27-5

    References

    • Tanko, James M.; Drumright, Ray E. Journal of the American Chemical Society, 1992 , vol. 114, # 5 p. 1844 - 1854

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   17.07
  • LogP   2.97782
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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