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CS-W001157 4
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2-Methyl-5-(propan-2-yl)benzoic acid

  • CAS No. 3754-72-1

  • Cat. No. CS-0245637
  • Molecule weight178.23
  • Purity≥98%
  • MDL No.None

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

2-Methyl-5-(propan-2-yl)benzoic acid|CS-0245637

Structure of 3754-72-1

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General Information

  • CAS No. 3754-72-1
  • Cat. No. CS-0245637
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) p-CYMENE-2-CARBOXYLIC ACID
  • SMILES O=C(O)C1=CC(C(C)C)=CC=C1C

Synthesis

  • Route1
    • null|null
      1202-08-0
    • ~%
    • 2-Methyl-5-(propan-2-yl)benzoic acid|CS-0245637
      3754-72-1

    References

    • Lester; Bailey Journal of the American Chemical Society, 1946 , vol. 68, p. 375
  • Route2
    • null|null
      124-38-9
    • ~%
    • 2-Methyl-5-(propan-2-yl)benzoic acid|CS-0245637
      3754-72-1

    References

    • Bogert; Tuttle Journal of the American Chemical Society, 1916 , vol. 38, p. 1353
  • Route3
    • null|null
      40180-46-9
    • ~%
    • 2-Methyl-5-(propan-2-yl)benzoic acid|CS-0245637
      3754-72-1

    References

    • Paterno; Spica Gazzetta Chimica Italiana, 1879 , vol. 9, p. 400 Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1879 , p. 725

Safety Information

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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-P305+P351+P338-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.81662
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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