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CS-W001157 4
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Dimethyl 3-methylpent-2-enedioate

  • CAS No. 52313-87-8

  • Cat. No. CS-0145913
  • Purity≥95%
  • MDL No.MFCD00008463

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

Dimethyl 3-methylpent-2-enedioate|CS-0145913

Structure of 52313-87-8

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General Information

  • CAS No. 52313-87-8
  • Cat. No. CS-0145913
  • Purity ≥95%
  • MDL No. MFCD00008463
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) Dimethyl 3-methylglutaconate,mixture of cis and trans
  • SMILES O=C(OC)/C=C(C)/CC(OC)=O

Synthesis

  • Route1

    References

    • Henrick; Willy; Baum; et al. Journal of Organic Chemistry, 1975 , vol. 40, # 1 p. 1 - 7
  • Route2
    • null|null
      67-56-1
    • (E)-3-Methylpentenedioic acid|CS-0356558
      372-42-9
    • ~%
    • Dimethyl 3-methylpent-2-enedioate|CS-0145913
      52313-87-8

    References

    • Ryan, Patrick E.; Canard, Gabriel; Koeller, Sylvain; Bocquet, Bernard; Piguet, Claude Inorganic Chemistry, 2012 , vol. 51, # 18 p. 10012 - 10024

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   0.6688
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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