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CS-W001157 4
Total: USD 88.00

3-Benzoyl-2-butanone

  • CAS No. 6668-24-2

  • Cat. No. CS-0007560
  • Purity≥98%
  • MDL No.MFCD09033549

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

3-Benzoyl-2-butanone|CS-0007560

Structure of 6668-24-2

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General Information

  • CAS No. 6668-24-2
  • Cat. No. CS-0007560
  • Purity ≥98%
  • MDL No. MFCD09033549
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) 1-Phenyl-2-methyl-1,3-butanedione; 2-Methyl-1-phenylbutane-1,3-dione
  • SMILES CC(C(C)C(C1=CC=CC=C1)=O)=O

Synthesis

  • Route1
    • null|null
      108-24-7
    • null|null
      93-55-0
    • ~89%
    • In-stock
      3-Benzoyl-2-butanone|CS-0007560
      6668-24-2

    References

    • Matsukawa, Yohei; Isobe, Minoru; Kotsuki, Hiyoshizo; Ichikawa, Yoshiyasu Journal of Organic Chemistry, 2005 , vol. 70, # 13 p. 5339 - 5341
  • Route2
    • null|null
      98-88-4
    • null|null
      78-94-4
    • ~62%
    • In-stock
      3-Benzoyl-2-butanone|CS-0007560
      6668-24-2

    References

    • Sato, Kazuyuki; Yamazoe, Satoshi; Yamamoto, Rie; Ohata, Shizuka; Tarui, Atsushi; Omote, Masaaki; Kumadaki, Itsumaro; Ando, Akira Organic Letters, 2008 , vol. 10, # 12 p. 2405 - 2408
  • Route3
    • null|null
      78-94-4
    • In-stock
      Benzoic acid|CS-0008257
      65-85-0
    • ~55%
    • In-stock
      3-Benzoyl-2-butanone|CS-0007560
      6668-24-2

    References

    • Sato, Kazuyuki; Yamazoe, Satoshi; Yamamoto, Rie; Ohata, Shizuka; Tarui, Atsushi; Omote, Masaaki; Kumadaki, Itsumaro; Ando, Akira Organic Letters, 2008 , vol. 10, # 12 p. 2405 - 2408

Safety Information

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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

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.0944
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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