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CS-W001157 4
Total: USD 88.00

(S)-3-Methyl-2-phenylbutanoic acid

  • CAS No. 13490-69-2

  • Cat. No. CS-0005259
  • Molecule weight178.23
  • Purity≥98%
  • MDL No.MFCD00167435

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

(S)-3-Methyl-2-phenylbutanoic acid|CS-0005259

Structure of 13490-69-2

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General Information

  • CAS No. 13490-69-2
  • Cat. No. CS-0005259
  • Purity ≥98%
  • MDL No. MFCD00167435
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) (αS)-α-Isopropylbenzeneacetic acid
  • SMILES O=C(O)[C@@H](C(C)C)C1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      13491-00-4
    • ~99%
    • In-stock
      (S)-3-Methyl-2-phenylbutanoic acid|CS-0005259
      13490-69-2

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2005/14575 A1, 2005 ; Location in patent: Page/Page column 20 ; WO 2005/014575 A1
  • Route2
    • 3-Methyl-2-phenylbut-2-enoic acid|CS-1670824
      4412-08-2
    • ~%
    • In-stock
      (S)-3-Methyl-2-phenylbutanoic acid|CS-0005259
      13490-69-2

    References

    • Journal of the American Chemical Society, , vol. 109, # 25 p. 7876 - 7878
  • Route3
    • null|null
      222021-01-4
    • ~82%
    • In-stock
      (S)-3-Methyl-2-phenylbutanoic acid|CS-0005259
      13490-69-2

    References

    • Spino; Beaulieu; Lafreniere Journal of Organic Chemistry, 2000 , vol. 65, # 21 p. 7091 - 7097

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-H317-H319-H335
Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.5108
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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