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1-Phenylhexan-2-one

  • CAS No. 25870-62-6

  • Cat. No. CS-0152391
  • Molecule weight176.25
  • Purity≥95%
  • MDL No.MFCD00027240

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

1-Phenylhexan-2-one|CS-0152391

Structure of 25870-62-6

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General Information

  • CAS No. 25870-62-6
  • Cat. No. CS-0152391
  • Purity ≥95%
  • MDL No. MFCD00027240
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O
  • Molecular Weight 176.25
  • Synonym(s) 1-Phenyl-2-Hexanone
  • SMILES CCCCC(=O)CC1=CC=CC=C1

Synthesis

  • Route1

    References

    • Imamoto, Tsuneo; Takiyama, Noboyuki; Nakamura, Kimikazu; Hatajima, Toshihiko; Kamiya, Yasuo Journal of the American Chemical Society, 1989 , vol. 111, # 12 p. 4392 - 4398
  • Route2

    References

    • Solvay Pharmaceuticals, B.V. Patent: US2008/312276 A1, 2008 ; Location in patent: Page/Page column 9 ;
  • Route3
    • null|null
      103-82-2
    • null|null
      109-72-8
    • ~79%
    • 1-Phenylhexan-2-one|CS-0152391
      25870-62-6

    References

    • Genna, Douglas T.; Posner, Gary H. Organic Letters, 2011 , vol. 13, # 19 p. 5358 - 5361

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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.9884
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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