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CS-W001157 4
Total: USD 88.00

3-(2,4-Dimethylphenyl)propanoic acid

  • CAS No. 1811-85-4

  • Cat. No. CS-0196896
  • Purity≥97%
  • MDL No.None

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

3-(2,4-Dimethylphenyl)propanoic acid|CS-0196896

Structure of 1811-85-4

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General Information

  • CAS No. 1811-85-4
  • Cat. No. CS-0196896
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) 3-(2,4-DIMETHYLPHENYL)PROPIONIC ACID
  • SMILES CC1=CC(=C(C=C1)CCC(=O)O)C

Synthesis

  • Route1
    • null|null
      61052-15-1
    • ~94%
    • 3-(2,4-Dimethylphenyl)propanoic acid|CS-0196896
      1811-85-4

    References

    • DAIICHI SANKYO COMPANY, LIMITED Patent: US2011/53974 A1, 2011 ; Location in patent: Page/Page column 78 ;
  • Route2
    • 3-(2,4-Dimethylphenyl)acrylic acid|CS-0161266
      1685-80-9
    • ~96%
    • 3-(2,4-Dimethylphenyl)propanoic acid|CS-0196896
      1811-85-4

    References

    • Neudeck Monatshefte fur Chemie, 1996 , vol. 127, # 2 p. 185 - 200
  • Route3
    • null|null
      581101-46-4
    • ~69%
    • 3-(2,4-Dimethylphenyl)propanoic acid|CS-0196896
      1811-85-4

    References

    • Boyce, Rustum; Chu, Daniel Patent: US2005/124652 A1, 2005 ; US 20050124652 A1

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   37.3
  • LogP   2.32064
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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