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CS-W001157 4
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Dimethyl 4-methylphthalate

  • CAS No. 20116-65-8

  • Cat. No. CS-0565430
  • Purity≥98%
  • MDL No.None

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

Dimethyl 4-methylphthalate|CS-0565430

Structure of 20116-65-8

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General Information

  • CAS No. 20116-65-8
  • Cat. No. CS-0565430
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄
  • Molecular Weight 208.21
  • Synonym(s) 4-Methylphthalic acid dimethyl ester
  • SMILES O=C(C1=CC=C(C)C=C1C(OC)=O)OC

Synthesis

  • Route1

    References

    • Nudelman, Ayelet; Bechor, Yosi; Falb, Eliezer; Fischer, Bilha; Wexler, Barry A.; Nudelman, Abraham Synthetic Communications, 1998 , vol. 28, # 3 p. 471 - 474
  • Route2

    References

    • Jacobsen, Eric Jon; Myers, Jason K.; Walker, Daniel Patrick; Wishka, Donn G.; Reitz, Steven Charles; Piotrowski, David W.; Acker, Brad A.; Groppi JR., Vincent E. Patent: US2003/236270 A1, 2003 ; Location in patent: Page 43 ;
  • Route3

    References

    • Kureha Chemical Industry Co., Ltd. Patent: EP1550657 A1, 2005 ; Location in patent: Page/Page column 119 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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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