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    Technical details about Menthyl Acetate, learn more about the structure, uses, toxicity, action, side effects and more

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    Menthyl Acetate

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 16409-45-3, Menthol, acetate, 89-48-5, Menthyl acetate racemic, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, 29066-34-0
    Molecular Formula
    C12H22O2
    Molecular Weight
    198.30  g/mol
    InChI Key
    XHXUANMFYXWVNG-UHFFFAOYSA-N
    l-menthyl acetate is a natural product found in Mentha canadensis with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5-methyl-2-propan-2-ylcyclohexyl) acetate
    2.1.2 InChI
    InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
    2.1.3 InChI Key
    XHXUANMFYXWVNG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CCC(C(C1)OC(=O)C)C(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16409-45-3

    2. Menthol, Acetate

    3. 89-48-5

    4. Menthyl Acetate Racemic

    5. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate

    6. 29066-34-0

    7. (5-methyl-2-propan-2-ylcyclohexyl) Acetate

    8. 2623-23-6

    9. (+/-)-menthyl Acetate

    10. 2230-87-7

    11. 2-isopropyl-5-methylcyclohexyl Acetate

    12. (+)-neomenthyl Acetate

    13. D-neomenthyl Acetate

    14. L-menthyl Acetate;(-)-menthyl Acetate

    15. 5-methyl-2-(1-methylethyl)cyclohexanol Acetate

    16. Neomenthol Acetate

    17. Fema Number 2668

    18. Hsdb 824

    19. (.+/-.)-menthol Acetate

    20. Einecs 240-459-6

    21. Acetic Acid, P-menth-3-yl Ester, Dl-

    22. Ai3-36197

    23. Menthanyl Acetate

    24. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate, (1r,2r,5r)-rel-

    25. Menthol, Neo-

    26. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate, (1.alpha.,2.beta.,5.alpha.)-

    27. 20777-36-0

    28. Einecs 218-767-7

    29. (5r)-2-isopropyl-5-methylcyclohexyl Acetate

    30. Starbld0011430

    31. Menthyl Acetate, 97%

    32. Menthylacetate97

    33. (2-isopropyl-5-methyl-cyclohexyl) Acetate

    34. Acetic Acid Menthyl Ester

    35. Schembl57396

    36. Chembl254585

    37. 2-isopropyl-5-methylcyclohexyl Acetate, (1.alpha.,2.beta.,5.alpha.)-

    38. Dtxsid20859153

    39. Nsc7350

    40. Acetic Acid, P-menth-3-yl Ester

    41. Chebi:191550

    42. (1s)-(+)-menthylacetate

    43. Nsc-7350

    44. Dl-menthyl Acetate, >=97%, Fg

    45. Nsc122112

    46. Akos015837885

    47. Cis-1,3,trans-1,4- Menthol Acetate

    48. Nsc 122112

    49. Nsc-122112

    50. Sb44841

    51. Sb46743

    52. As-83629

    53. Db-063670

    54. Db-071375

    55. Ft-0604526

    56. Ft-0604554

    57. Ft-0628207

    58. Ft-0631427

    59. Ft-0690234

    60. Ft-0694110

    61. W-100373

    62. Cyclohexanol, Acetate, (1.alpha.,2.alpha.,5.beta.)-

    63. Menthyl Acetate, Primary Pharmaceutical Reference Standard

    64. Cyclohexanol, Acetate, [1s-(1.alpha.,2.alpha.,5.beta.)]-

    65. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate, (1alpha,2alpha,5beta)-

    66. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 198.30 g/mol
    Molecular Formula C12H22O2
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass198.161979940 g/mol
    Monoisotopic Mass198.161979940 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity199
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    AS AN ESTER IT IS PRESUMABLY HYDROLYZED IN THE ALIMENTARY TRACT TO MENTHOL AND ACETIC ACID.

    Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-258

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