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CS-W001157 4
Total: USD 88.00

3-Isobutoxybenzoic acid

  • CAS No. 350997-58-9

  • Cat. No. CS-0206577
  • Purity≥98%
  • MDL No.MFCD01993662

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

3-Isobutoxybenzoic acid|CS-0206577

Structure of 350997-58-9

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General Information

  • CAS No. 350997-58-9
  • Cat. No. CS-0206577
  • Purity ≥98%
  • MDL No. MFCD01993662
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₃
  • Molecular Weight 194.23
  • Synonym(s) OTAVA-BB BB7216516557
  • SMILES CC(C)COC1=CC=CC(=C1)C(=O)O

Synthesis

  • Route1
    • null|null
      874204-70-3
    • ~%
    • 3-Isobutoxybenzoic acid|CS-0206577
      350997-58-9

    References

    • Tsuchida, Keiichi; Chaki, Hisaaki; Takakura, Tadakazu; Kotsubo, Hironori; Tanaka, Tadashi; Aikawa, Yukihiko; Shiozawa, Shunichi; Hirono, Shuichi Journal of Medicinal Chemistry, 2006 , vol. 49, # 1 p. 80 - 91
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 1 p. 80 - 91

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.4196
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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