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Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

3-Butylheptan-2-one

  • CAS No. 997-69-3

  • Cat. No. CS-0325553
  • Purity95+%
  • MDL No.None

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

3-Butylheptan-2-one|CS-0325553

Structure of 997-69-3

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General Information

  • CAS No. 997-69-3
  • Cat. No. CS-0325553
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₂O
  • Molecular Weight 170.29
  • Synonym(s) 3-Butyl-2-heptanone
  • SMILES CCCCC(CCCC)C(=O)C

Synthesis

  • Route1
    • null|null
      106594-88-1
    • ~66%
    • 3-Butylheptan-2-one|CS-0325553
      997-69-3

    References

    • Kita, Yasuyuki; Yoshida, Yutaka; Mihara, Sachiko; Furukawa, Akihiro; Higuchi, Kazuhiro; Fang, Dai-Fei; Fujioka, Hiromichi Tetrahedron, 1998 , vol. 54, # 49 p. 14689 - 14704
  • Route2
    • null|null
      55501-16-1
    • ~%
    • 3-Butylheptan-2-one|CS-0325553
      997-69-3

    References

    • Journal of Organic Chemistry, , vol. 22, p. 1189,1192
  • Route3
    • null|null
      109-65-9
    • null|null
      110-43-0
    • ~%
    • In-stock
      6-Undecanone|CS-0204308
      927-49-1
    • 3-Butylheptan-2-one|CS-0325553
      997-69-3
    • null|null
      2903-22-2

    References

    • Journal of Organometallic Chemistry, , vol. 204, # 3 p. 281 - 286

Safety Information

Download SDS
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   3.572
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   7

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