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CS-W001157 4
Total: USD 88.00

7-Oxooctanoic acid

  • CAS No. 14112-98-2

  • Cat. No. CS-0046839
  • Purity≥98%
  • MDL No.None

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

7-Oxooctanoic acid|CS-0046839

Structure of 14112-98-2

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General Information

  • CAS No. 14112-98-2
  • Cat. No. CS-0046839
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.19
  • Synonym(s) 7-ketooctanoic acid
  • SMILES O=C(O)CCCCCC(C)=O

Description

7-Oxooctanoic acid is fatty acid formed by the action of acid synthases from acetyl-CoA and malonyl-CoA precursors.7-Oxooctanoic acid was employed as test compound to investigate the applicability of high-resolution electrospray ionization mass spectrometry to the measurements of average oxygen to carbon ratio (O/C) in secondary organic aerosols. It may be used in the synthesis of hapten, which was used to obtain antibody for the detection of triacetone triperoxide (an improvised explosive). It may be used in the synthesis of queen substance of the honey bee.

Synthesis

  • Route1
    • In-stock
      2-Acetyl-1-cyclohexanone|CS-D1351
      874-23-7
    • null|null
      123-54-6
    • ~87%
    • In-stock
      7-Oxooctanoic acid|CS-0046839
      14112-98-2

    References

    • Kawata, Atsushi; Takata, Kazumi; Kuninobu, Yoichiro; Takai, Kazuhiko Angewandte Chemie - International Edition, 2007 , vol. 46, # 41 p. 7793 - 7795
  • Route2

    References

    • Biswas, Srijit; Maiti, Sukhendu; Jana, Umasish European Journal of Organic Chemistry, 2010 , # 15 p. 2861 - 2866
  • Route3
    • In-stock
      4-Pentenoic acid|CS-W009138
      591-80-0
    • null|null
      67-64-1
    • ~77%
    • In-stock
      7-Oxooctanoic acid|CS-0046839
      14112-98-2

    References

    • Yamashita, Toshiaki; Matsushita, Shuhei; Nagatomo, Takuya; Yamauchi, Ryosuke; Yasuda, Masahide Research on Chemical Intermediates, 2013 , vol. 39, # 1 p. 111 - 126

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.6105
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   6

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