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Methyl 2-(hexyloxy)benzoate

  • CAS No. 56306-81-1

  • Cat. No. CS-0326974
  • Molecule weight236.31
  • Purity≥97%
  • MDL No.None

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

Methyl 2-(hexyloxy)benzoate|CS-0326974

Structure of 56306-81-1

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General Information

  • CAS No. 56306-81-1
  • Cat. No. CS-0326974
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀O₃
  • Molecular Weight 236.31
  • Synonym(s) 2-HEXYLOXY-BENZOIC ACID METHYL ESTER
  • SMILES CCCCCCOC1=CC=CC=C1C(=O)OC

Synthesis

  • Route1
    • null|null
      111-25-1
    • Methyl salicylate, food grade|CS-0890223
      119-36-8
    • ~%
    • Methyl 2-(hexyloxy)benzoate|CS-0326974
      56306-81-1

    References

    • Coates, William J.; Connolly, Brendan; Dhanak, Dashyant; Flynn, Sean T.; Worby, Angela Journal of Medicinal Chemistry, 1993 , vol. 36, # 10 p. 1387 - 1392

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   35.53
  • LogP   3.4323
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   7

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