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CS-W001157 4
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Dimethyl 2-methylisophthalate

  • CAS No. 28269-31-0

  • Cat. No. CS-0181314
  • Molecule weight208.21
  • Purity≥98%
  • MDL No.MFCD00229510

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

Dimethyl 2-methylisophthalate|CS-0181314

Structure of 28269-31-0

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General Information

  • CAS No. 28269-31-0
  • Cat. No. CS-0181314
  • Purity ≥98%
  • MDL No. MFCD00229510
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄
  • Molecular Weight 208.21
  • Synonym(s) dimethyl 2-methylisophthalate28269-31-0
  • SMILES O=C(C1=CC=CC(C(OC)=O)=C1C)OC

Synthesis

  • Route1
    • 2-Methylisophthalonitrile|CS-0320642
      2317-22-8
    • ~%
    • In-stock
      Dimethyl 2-methylisophthalate|CS-0181314
      28269-31-0

    References

    • Wenkert,E. et al. Journal of Organic Chemistry, 1964 , vol. 29, p. 2534 - 2542
  • Route2
    • null|null
      3112-43-4
    • ~%
    • In-stock
      Dimethyl 2-methylisophthalate|CS-0181314
      28269-31-0

    References

    • Elderfield; Wythe Journal of Organic Chemistry, 1954 , vol. 19, p. 683,691
  • Route3
    • null|null
      623-43-8
    • ~%
    • In-stock
      Dimethyl 2-methylisophthalate|CS-0181314
      28269-31-0

    References

    • Mitchell, Reginald H.; Chaudhary, Mahima; Kamada, Toshihiro; Slowey, Paul D.; Williams, Richard Vaughan Tetrahedron, 1986 , vol. 42, # 6 p. 1741 - 1744

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
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   52.6
  • LogP   1.56822
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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