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    Menthyl Isovalerate

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 28221-20-7, 89-47-4, Menthyl isovalerate, (-)-, Butanoic acid, 3-methyl-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl ester, Menthyl isovalerate, (+/-)-, [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] 3-methylbutanoate
    Molecular Formula
    C15H28O2
    Molecular Weight
    240.38  g/mol
    InChI Key
    VYQSSWZYPCCBRN-HZSPNIEDSA-N
    FDA UNII
    P5M0O284O6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-methylbutanoate
    2.1.2 InChI
    InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1
    2.1.3 InChI Key
    VYQSSWZYPCCBRN-HZSPNIEDSA-N
    2.1.4 Canonical SMILES
    CC1CCC(C(C1)OC(=O)CC(C)C)C(C)C
    2.1.5 Isomeric SMILES
    C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(C)C)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    P5M0O284O6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-p-menthyl Isovalerate

    2. Validol, (1alpha,2beta,5alpha)-isomer

    3. Validol, (1r-(1alpha,2beta,5alpha))-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 28221-20-7

    2. 89-47-4

    3. Menthyl Isovalerate, (-)-

    4. Butanoic Acid, 3-methyl-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl Ester

    5. Menthyl Isovalerate, (+/-)-

    6. [(1r,2s,5r)-5-methyl-2-propan-2-ylcyclohexyl] 3-methylbutanoate

    7. P5m0o284o6

    8. Butanoic Acid, 3-methyl-, (1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl Ester, Rel-

    9. E6qe751102

    10. Menthol Isovalerate

    11. Unii-p5m0o284o6

    12. Einecs 248-911-4

    13. L-menthyl Isovalerate

    14. Dl-menthyl Isovalerate

    15. Schembl873739

    16. Menthyl Isovalerate [mi]

    17. Unii-e6qe751102

    18. Fema 2669

    19. Dtxsid90883268

    20. Dtxsid90893827

    21. Menthyl Valerate [who-dd]

    22. Menthyl Isovalerate [fhfi]

    23. P- Menth-3-yl Isovalerate

    24. Menthyl Isovalerate [mart.]

    25. Zinc4216848

    26. Einecs 201-910-2

    27. Menthyl Isovalerate Racemate [mi]

    28. Fema No. 4156, (-)-

    29. Fema No. 4156, (+/-)-

    30. (1r,2s,5r)-2-isopropyl-5-methylcyclohexyl 3-methylbutanoate

    31. (1r,2s,5r)-5-methyl-2-(propan-2-yl)cyclohexyl 3-methylbutanoate

    32. Rel-(1r,2s,5r)-2-isopropyl-5-methylcyclohexyl 3-methylbutanoate

    33. (1r-(1alpha,2beta,5alpha))-2-isopropenyl-5-methylcyclohexyl Isovalerate

    34. Butanoic Acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl Ester, (1alpha,2beta,5alpha)-

    35. Butanoic Acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl Ester, (1r-(1.alpha.,2.beta.,5.alpha.))-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 240.38 g/mol
    Molecular Formula C15H28O2
    XLogP34.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass240.208930132 g/mol
    Monoisotopic Mass240.208930132 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity245
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1