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CS-W001157 4
Total: USD 88.00

3-Phenylglutaric acid

  • CAS No. 4165-96-2

  • Cat. No. CS-W015226
  • Purity≥98%
  • MDL No.MFCD00002718

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

3-Phenylglutaric acid|CS-W015226

Structure of 4165-96-2

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General Information

  • CAS No. 4165-96-2
  • Cat. No. CS-W015226
  • Purity ≥98%
  • MDL No. MFCD00002718
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄
  • Molecular Weight 208.21
  • Synonym(s) Benzylsuccinic
  • SMILES O=C(O)CC(C1=CC=CC=C1)CC(O)=O

Synthesis

  • Route1

    References

    • UNIVERSITAET DES SAARLANDES Patent: US2012/46307 A1, 2012 ; Location in patent: Page/Page column 25 ;
  • Route2
    • Diethyl 2,4-diacetyl-3-phenylpentanedioate|CS-0729161
      13277-74-2
    • ~%
    • 3-Phenylglutaric acid|CS-W015226
      4165-96-2

    References

    • UNIVERSITAET DES SAARLANDES; ENGEL, Matthias; FROeHNER, Wolfgang; STROBA, Adriane; BIONDI, Ricardo M. Patent: WO2010/43711 A1, 2010 ; Location in patent: Page/Page column 53 ; WO 2010/043711 A1
  • Route3
    • null|null
      6768-26-9
    • ~%
    • 3-Phenylglutaric acid|CS-W015226
      4165-96-2

    References

    • Paden; Adkins Journal of the American Chemical Society, 1936 , vol. 58, p. 2493 Full Text Show Details Breslow; Hauser Journal of the American Chemical Society, 1940 , vol. 62, p. 2385,2388

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+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.7196
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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