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CS-W001157 4
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Dimethyl 5-(hydroxymethyl)isophthalate

  • CAS No. 109862-53-5

  • Cat. No. CS-B0834
  • Purity≥98%
  • MDL No.MFCD16987721

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

Dimethyl 5-(hydroxymethyl)isophthalate|CS-B0834

Structure of 109862-53-5

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General Information

  • CAS No. 109862-53-5
  • Cat. No. CS-B0834
  • Purity ≥98%
  • MDL No. MFCD16987721
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₅
  • Molecular Weight 224.21
  • Synonym(s) dimethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
  • SMILES O=C(OC)C1=CC(CO)=CC(C(OC)=O)=C1

Synthesis

  • Route1

    References

    • Agfa Graphics NV Patent: US8138238 B2, 2012 ; Location in patent: Page/Page column 29-30 ;
  • Route2

    References

    • Dimick, Sarah M.; Powell, Steven C.; McMahon, Stephen A.; Moothoo, Davina N.; Naismith, James H.; Toone, Eric J. Journal of the American Chemical Society, 1999 , vol. 121, # 44 p. 10286 - 10296
  • Route3

    References

    • Meng, Le; Cheng, Qigan; Kim, Chungsik; Gao, Wen-Yang; Wojtas, Lukasz; Zaworotko, Michael J.; Zhang, X. Peter; Ma, Shengqian; Chen, Yu-Sheng Angewandte Chemie, International Edition, 2012 , vol. 51, # 40 p. 10082 - 10085,4 Angewandte Chemie, 2012 , vol. 124, # 40 p. 10229 - 10232,4

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   72.83
  • LogP   0.7521
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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