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CS-W001157 4
Total: USD 88.00

3,3-Dimethyl-1-phenylbutan-2-one

  • CAS No. 6721-67-1

  • Cat. No. CS-0570183
  • Molecule weight176.25
  • Purity≥98%
  • MDL No.None

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

3,3-Dimethyl-1-phenylbutan-2-one|CS-0570183

Structure of 6721-67-1

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General Information

  • CAS No. 6721-67-1
  • Cat. No. CS-0570183
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O
  • Molecular Weight 176.25
  • Synonym(s) 3,3-DIMETHYL-1-PHENYL-BUTAN-2-ONE
  • SMILES CC(C)(C)C(=O)CC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      444729-05-9
    • ~93%
    • 3,3-Dimethyl-1-phenylbutan-2-one|CS-0570183
      6721-67-1

    References

    • Gudla, Vanajakshi; Balamurugan, Rengarajan Tetrahedron Letters, 2012 , vol. 53, # 39 p. 5243 - 5247
  • Route2
    • null|null
      108-86-1
    • null|null
      3840-71-9
    • ~84%
    • 3,3-Dimethyl-1-phenylbutan-2-one|CS-0570183
      6721-67-1

    References

    • Kosugi, Masanori; Hagiwara, Isao; Sumiya, Takashi; Migita, Toshihiko Journal of the Chemical Society, Chemical Communications, 1983 , # 7 p. 344 - 345
  • Route3
    • null|null
      7332-96-9
    • ~45%
    • 3,3-Dimethyl-1-phenylbutan-2-one|CS-0570183
      6721-67-1

    References

    • Nishiyama, Yutaka; Inoue, Jun; Teranishi, Kazuyo; Moriwaki, Masami; Hamanaka, Sawako Tetrahedron Letters, 1992 , vol. 33, # 42 p. 6347 - 6350

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.8443
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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