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CS-W001157 4
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1-Hydroxypentan-2-one

  • CAS No. 64502-89-2

  • Cat. No. CS-0239089
  • Purity≥95%
  • MDL No.None

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

1-Hydroxypentan-2-one|CS-0239089

Structure of 64502-89-2

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General Information

  • CAS No. 64502-89-2
  • Cat. No. CS-0239089
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₀O₂
  • Molecular Weight 102.13
  • Synonym(s) 1-Hydroxy-2-pentanone
  • SMILES CCCC(CO)=O

Synthesis

  • Route1

    References

    • Symrise AG; Koch, Oskar; Köckritz, Angela; Kant, Michael; Martin, Andreas; Schöning, Axel; Armbruster, Udo; Bartoszek, Michael; Evert, Sigrid; Lange, Brigitte; Bienert, Regina Patent: US2014/66666 A1, 2014 ; Location in patent: Paragraph 0257-0259 ;
  • Route2
    • null|null
      817-71-0
    • ~80%
    • 1-Hydroxypentan-2-one|CS-0239089
      64502-89-2

    References

    • Crank, George; Khan, Humaid R. Australian Journal of Chemistry, 1985 , vol. 38, # 3 p. 447 - 458
  • Route3

    References

    • Walti Journal of the American Chemical Society, 1934 , vol. 56, p. 2725

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅱ
Hazard Statements : H225-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P362+P364-P370+P378-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   0.3479
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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