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CS-W001157 4
Total: USD 88.00

Diethyl cyclohexane-1,1-dicarboxylate

  • CAS No. 1139-13-5

  • Cat. No. CS-W012995
  • Purity≥98%
  • MDL No.MFCD02093457

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

Diethyl cyclohexane-1,1-dicarboxylate|CS-W012995

Structure of 1139-13-5

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General Information

  • CAS No. 1139-13-5
  • Cat. No. CS-W012995
  • Purity ≥98%
  • MDL No. MFCD02093457
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₀O₄
  • Molecular Weight 228.29
  • Synonym(s) Diethyl 1,1-cyclohexanedicarboxylate
  • SMILES O=C(C1(C(OCC)=O)CCCCC1)OCC

Synthesis

  • Route1
    • null|null
      137435-37-1
    • ~86%
    • In-stock
      Diethyl cyclohexane-1,1-dicarboxylate|CS-W012995
      1139-13-5

    References

    • Kim, Sunggak; Kee, In Seo; Lee, Sangphil Journal of the American Chemical Society, 1991 , vol. 113, # 26 p. 9882 - 9883
  • Route2
    • null|null
      111-24-0
    • null|null
      105-53-3
    • ~59%
    • In-stock
      Diethyl cyclohexane-1,1-dicarboxylate|CS-W012995
      1139-13-5

    References

    • Dmowski, Wojciech; Wolniewicz, Adam Journal of Fluorine Chemistry, 2000 , vol. 102, # 1-2 p. 141 - 146
  • Route3
    • (5-Bromopentyl)malonic acid diethyl ester|CS-0213407
      1906-95-2
    • ~77%
    • In-stock
      Diethyl cyclohexane-1,1-dicarboxylate|CS-W012995
      1139-13-5

    References

    • Galli, Carlo; Mandolini, Luigi Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1984 , # 8 p. 1435 - 1438

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.0631
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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