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CS-W001157 4
Total: USD 88.00

1-(O-tolyl)butan-1-one

  • CAS No. 35028-06-9

  • Cat. No. CS-0552012
  • Molecule weight162.23
  • Purity≥98%
  • MDL No.None

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

1-(O-tolyl)butan-1-one|CS-0552012

Structure of 35028-06-9

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General Information

  • CAS No. 35028-06-9
  • Cat. No. CS-0552012
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O
  • Molecular Weight 162.23
  • Synonym(s) 2'-Methylbutyrophenone
  • SMILES CCCC(=O)C1=CC=CC=C1C

Synthesis

  • Route1
    • In-stock
      1-Iodo-2-methylbenzene|CS-W007394
      615-37-2
    • null|null
      201230-82-2
    • ~57%
    • Di-o-tolylmethanone|CS-0505020
      1018-97-9
    • 1-(O-tolyl)butan-1-one|CS-0552012
      35028-06-9

    References

    • Tamaru, Yoshinao; Ochiai, Hirofumi; Yamada, Yoshimi; Yoshida, Zen-ichi Tetrahedron Letters, 1983 , vol. 24, # 36 p. 3869 - 3872
  • Route2
    • In-stock
      1-Iodo-2-methylbenzene|CS-W007394
      615-37-2
    • null|null
      201230-82-2
    • null|null
      107-08-4
    • ~56%
    • Di-o-tolylmethanone|CS-0505020
      1018-97-9
    • 1-(O-tolyl)butan-1-one|CS-0552012
      35028-06-9

    References

    • Tamaru, Yoshinao; Ochiai, Hirofumi; Yamada, Yoshimi; Yoshida, Zen-ichi Tetrahedron Letters, 1983 , vol. 24, # 36 p. 3869 - 3872
  • Route3
    • null|null
      529-19-1
    • ~71%
    • 1-(O-tolyl)butan-1-one|CS-0552012
      35028-06-9

    References

    • Wessig, Pablo; Glombitza, Clemens; Mueller, Gunnar; Teubner, Janek Journal of Organic Chemistry, 2004 , vol. 69, # 22 p. 7582 - 7591

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

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