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Methyl 1-(hydroxymethyl)cyclohexanecarboxylate

  • CAS No. 104654-66-2

  • Cat. No. CS-0416105
  • Molecule weight172.22
  • Purity≥95%
  • MDL No.MFCD18207648

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

Methyl 1-(hydroxymethyl)cyclohexanecarboxylate|CS-0416105

Structure of 104654-66-2

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General Information

  • CAS No. 104654-66-2
  • Cat. No. CS-0416105
  • Purity ≥95%
  • MDL No. MFCD18207648
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₃
  • Molecular Weight 172.22
  • Synonym(s) Cyclohexanecarboxylic acid, 1-(hydroxymethyl)-, methyl ester
  • SMILES O=C(C1(CO)CCCCC1)OC

Synthesis

  • Route1
    • null|null
      24632-01-7
    • ~68%
    • Methyl 1-(hydroxymethyl)cyclohexanecarboxylate|CS-0416105
      104654-66-2

    References

    • BASF Aktiengesellschaft Patent: US4837357 A1, 1989 ;
  • Route2

    References

    • Kato, Michiharu; Kitahara, Haruo; Yoshikoshi, Akira Chemistry Letters, 1985 , p. 1785 - 1788

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   46.53
  • LogP   1.1022
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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