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Ethyl cyclohex-1-ene-1-carboxylate

  • CAS No. 1617-22-7

  • Cat. No. CS-0475181
  • Molecule weight154.21
  • Purity≥98%
  • MDL No.MFCD06204723

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

Ethyl cyclohex-1-ene-1-carboxylate|CS-0475181

Structure of 1617-22-7

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General Information

  • CAS No. 1617-22-7
  • Cat. No. CS-0475181
  • Purity ≥98%
  • MDL No. MFCD06204723
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₂
  • Molecular Weight 154.21
  • Synonym(s) Ethyl cyclohexenecarboxylate
  • SMILES CCOC(=O)C1=CCCCC1

Synthesis

  • Route1
    • Methyl cyclohex-2-ene-1-carboxylate|CS-0180950
      25662-37-7
    • ~92%
    • Ethyl cyclohex-1-ene-1-carboxylate|CS-0475181
      1617-22-7

    References

    • Shell Oil Company Patent: US4249015 A1, 1981 ;
  • Route2
    • null|null
      71911-74-5
    • ~77%
    • Ethyl cyclohex-1-ene-1-carboxylate|CS-0475181
      1617-22-7

    References

    • Parker; Kallmerten Journal of Organic Chemistry, 1980 , vol. 45, # 13 p. 2614 - 2620
  • Route3
    • null|null
      1315564-11-4
    • ~63%
    • Ethyl cyclohex-1-ene-1-carboxylate|CS-0475181
      1617-22-7

    References

    • Joannesse, Caroline; Johnston, Craig P.; Morrill, Louis C.; Woods, Philip A.; Kieffer, Madeleine; Nigst, Tobias A.; Mayr, Herbert; Lebl, Tomas; Philp, Douglas; Bragg, Ryan A.; Smith, Andrew D. Chemistry - A European Journal, 2012 , vol. 18, # 8 p. 2398 - 2408

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0499
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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