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CS-W001157 4
Total: USD 88.00

2,2-Dimethylheptan-3-one

  • CAS No. 19078-97-8

  • Cat. No. CS-0521353
  • Molecule weight142.24
  • Purity≥98%
  • MDL No.None

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

2,2-Dimethylheptan-3-one|CS-0521353

Structure of 19078-97-8

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General Information

  • CAS No. 19078-97-8
  • Cat. No. CS-0521353
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O
  • Molecular Weight 142.24
  • Synonym(s) 2,2-Dimethyl-3-heptanone
  • SMILES CC(C)(C)C(CCCC)=O

Synthesis

  • Route1
    • null|null
      19549-70-3
    • ~87%
    • 2,2-Dimethylheptan-3-one|CS-0521353
      19078-97-8

    References

    • Hormann, Robert Eugene; Potter, David W.; Chortyk, Orestes; Tice, Colin M.; Carlson, Glenn Richard; Meyer, Andrew; Opie, Thomas R. Patent: US2006/20146 A1, 2006 ; Location in patent: Page/Page column 52 ;
  • Route2
    • null|null
      34948-25-9
    • null|null
      3282-30-2
    • ~90%
    • 2,2-Dimethylheptan-3-one|CS-0521353
      19078-97-8

    References

    • Bertz, Steven H.; Dabbagh, Gary Tetrahedron, 1989 , vol. 45, # 2 p. 425 - 434
  • Route3
    • null|null
      2177-30-2
    • ~98%
    • 2,2-Dimethylheptan-3-one|CS-0521353
      19078-97-8

    References

    • Murayama, Hideki; Inoue, Shohei Chemistry Letters, 1985 , p. 1377 - 1380

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.7918
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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