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CS-W001157 4
Total: USD 88.00

2,2-Dimethylhexan-3-one

  • CAS No. 5405-79-8

  • Cat. No. CS-0215102
  • Purity≥96%
  • MDL No.None

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

2,2-Dimethylhexan-3-one|CS-0215102

Structure of 5405-79-8

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General Information

  • CAS No. 5405-79-8
  • Cat. No. CS-0215102
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O
  • Molecular Weight 128.21
  • Synonym(s) 2,2-Dimethyl-3-hexanone
  • SMILES CCCC(=O)C(C)(C)C

Synthesis

  • Route1

    References

    • Yamada, Yoichi M.A.; Jin, Chung Keun; Uozumi, Yasuhiro Organic Letters, 2010 , vol. 12, # 20 p. 4540 - 4543
  • Route2
    • null|null
      20971-19-1
    • ~%
    • In-stock
      2,2-Dimethylhexan-3-one|CS-0215102
      5405-79-8

    References

    • Journal of the American Chemical Society, , vol. 61, p. 3306
  • Route3
    • null|null
      677-22-5
    • null|null
      141-75-3
    • ~69%
    • In-stock
      2,2-Dimethylhexan-3-one|CS-0215102
      5405-79-8

    References

    • Fiandanese, V.; Marchese, G.; Martina, V.; Ronzini, L. Tetrahedron Letters, 1984 , vol. 25, # 42 p. 4805 - 4808

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
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   2.4017
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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