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CS-W001157 4
Total: USD 88.00

Dimethyl 4-methylisophthalate

  • CAS No. 23038-61-1

  • Cat. No. CS-0318280
  • Purity≥97%
  • MDL No.None

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

Dimethyl 4-methylisophthalate|CS-0318280

Structure of 23038-61-1

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General Information

  • CAS No. 23038-61-1
  • Cat. No. CS-0318280
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄
  • Molecular Weight 208.21
  • Synonym(s) Dimethyl-4 methylisophthalate
  • SMILES CC1=C(C=C(C=C1)C(=O)OC)C(=O)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      4-Methylbenzene-1,3-dicarboxylic acid|CS-0061172
      3347-99-7
    • ~96%
    • In-stock
      Dimethyl 4-methylisophthalate|CS-0318280
      23038-61-1

    References

    • Egbertson; Hartman; Gould; Bednar; Cook; Gaul; Holahan; Libby; Lynch Jr.; Lynch; Sitko; Stranieri; Vassallo Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 21 p. 2519 - 2524
  • Route2
    • null|null
      95-73-8
    • ~%
    • In-stock
      Dimethyl 4-methylisophthalate|CS-0318280
      23038-61-1

    References

    • Strauss,M.J. et al. Journal of the American Chemical Society, 1968 , vol. 90, # 13 p. 3473 - 3478
  • Route3

    References

    • Fischer, Stefan; Wentsch, Heike K.; Mayer-Wrangowski, Svenja C.; Zimmermann, Markus; Bauer, Silke M.; Storch, Kirsten; Niess, Raimund; Koeberle, Solveigh C.; Gruetter, Christian; Boeckler, Frank M.; Rauh, Daniel; Laufer, Stefan A. Journal of Medicinal Chemistry, 2013 , vol. 56, # 1 p. 241 - 253

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   52.6
  • LogP   1.56822
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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