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CS-W001157 4
Total: USD 88.00

1-Phenylethyl hydrogen phthalate

  • CAS No. 33533-53-8

  • Cat. No. CS-M2100
  • Molecule weight270.28
  • Purity≥97%
  • MDL No.MFCD00089162

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

1-Phenylethyl hydrogen phthalate|CS-M2100

Structure of 33533-53-8

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General Information

  • CAS No. 33533-53-8
  • Cat. No. CS-M2100
  • Purity ≥97%
  • MDL No. MFCD00089162
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₄O₄
  • Molecular Weight 270.28
  • Synonym(s) 1-Phenylethyl hydrogen phthalate; 2-((1-Phenylethoxy)carbonyl)benzoic acid
  • SMILES CC(OC(C1=C(C(O)=O)C=CC=C1)=O)C2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      85-44-9
    • null|null
      98-85-1
    • ~97%
    • 1-Phenylethyl hydrogen phthalate|CS-M2100
      33533-53-8

    References

    • Okudomi, Masayuki; Ageishi, Kanpei; Yamada, Tomomi; Chihara, Naoka; Nakagawa, Takuya; Mizuochi, Katsumi; Matsumoto, Kazutsugu Tetrahedron, 2010 , vol. 66, # 40 p. 8060 - 8067
  • Route2
    • null|null
      85-44-9
    • ~%
    • 1-Phenylethyl hydrogen phthalate|CS-M2100
      33533-53-8

    References

    • Pickard; Kenyon Journal of the Chemical Society, 1911 , vol. 99, p. 55,71 Journal of the Chemical Society, 1914 , vol. 105, p. 1121,1123, 1128
  • Route3
    • null|null
      100-52-7
    • ~%
    • 1-Phenylethyl hydrogen phthalate|CS-M2100
      33533-53-8

    References

    • Houssa; Kenyon Journal of the Chemical Society, 1930 , p. 2260,2262

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   3.3028
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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