(5-Methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate

  • Identifiers

    Molecular formula
    C15H25NO3

    SMILES
    CC1CCC(C(C1)OC(=O)N2CCCC2=O)C(C)C

  • Odor profile

    Fragrance
    Mint 57.42%
    Cooling 53.34%
    Odorless 47.65%
    Herbal 46.5%
    Woody 27.57%
    Fresh 26.02%
    Spicy 22.19%
    Camphoreous 21.9%
    Pine 19.4%
    Balsamic 19.11%

     

    Flavor
    Bitter 60.05%
    Cedarleaf 22.58%
    Odorless 22.05%
    Herbal 21.56%
    Lovage 20.97%
    Bland 20.4%
    Ripe apricot 20.01%
    Parsley 19.94%
    Leaves 19.91%
    Heather 19.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.28 (neutral)

    Molecular weight
    267.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 144.77 ˚C est.

  • Synonyms

    • SCHEMBL121837
    • CHEBI:174327
    • (5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
  • Applications

    Primarily used as an intermediate and building block in pharmaceutical and agrochemical synthesis, enabling the construction of heterocyclic and chiral molecules. It can serve as a functionalized lactam scaffold in polymer and coating chemistries, allowing incorporation into specialty polymers or resin systems. In medicinal chemistry, it is often evaluated as a chiral precursor or ligand-building block for catalytic steps. It may also appear in research and development contexts as a reactive intermediate for library synthesis, with its use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1029.03
    methanol 1117.32
    isopropanol 1076.14
    water 0.82
    ethyl acetate 1108.18
    n-propanol 817.28
    acetone 1498.24
    n-butanol 791.97
    acetonitrile 684.83
    DMF 1407.59
    toluene 541.6
    isobutanol 689.17
    1,4-dioxane 1336.15
    methyl acetate 833.77
    THF 2466.04
    2-butanone 1103.84
    n-pentanol 394.78
    sec-butanol 752.89
    n-hexane 13.16
    ethylene glycol 98.65
    NMP 1598.88
    cyclohexane 51.01
    DMSO 1008.43
    n-butyl acetate 645.02
    n-octanol 125.84
    chloroform 3621.64
    n-propyl acetate 472.46
    acetic acid 1422.41
    dichloromethane 2753.15
    cyclohexanone 1831.27
    propylene glycol 259.39
    isopropyl acetate 864.1
    DMAc 1216.96
    2-ethoxyethanol 497.99
    isopentanol 749.44
    n-heptane 5.8
    ethyl formate 649.78
    1,2-dichloroethane 1631.62
    n-hexanol 373.41
    2-methoxyethanol 1084.8
    isobutyl acetate 342.97
    tetrachloromethane 260.71
    n-pentyl acetate 376.47
    transcutol 1629.94
    n-heptanol 151.95
    ethylbenzene 164.76
    MIBK 612.31
    2-propoxyethanol 756.76
    tert-butanol 921.63
    MTBE 632.53
    2-butoxyethanol 407.07
    propionic acid 760.23
    o-xylene 251.1
    formic acid 399.57
    diethyl ether 531.63
    m-xylene 325.04
    p-xylene 273.55
    chlorobenzene 968.35
    dimethyl carbonate 306.55
    n-octane 3.71
    formamide 603.04
    cyclopentanone 1896.54
    2-pentanone 986.36
    anisole 381.23
    cyclopentyl methyl ether 866.02
    gamma-butyrolactone 2076.04
    1-methoxy-2-propanol 912.17
    pyridine 1489.79
    3-pentanone 549.71
    furfural 1403.92
    n-dodecane 4.74
    diethylene glycol 485.67
    diisopropyl ether 155.82
    tert-amyl alcohol 625.04
    acetylacetone 1123.13
    n-hexadecane 5.86
    acetophenone 436.04
    methyl propionate 687.74
    isopentyl acetate 610.53
    trichloroethylene 3522.17
    n-nonanol 118.73
    cyclohexanol 771.38
    benzyl alcohol 418.25
    2-ethylhexanol 167.41
    isooctanol 128.14
    dipropyl ether 118.82
    1,2-dichlorobenzene 728.49
    ethyl lactate 204.14
    propylene carbonate 1162.32
    n-methylformamide 742.56
    2-pentanol 531.81
    n-pentane 18.07
    1-propoxy-2-propanol 459.12
    1-methoxy-2-propyl acetate 619.84
    2-(2-methoxypropoxy) propanol 358.04
    mesitylene 165.73
    ε-caprolactone 1540.38
    p-cymene 87.58
    epichlorohydrin 2354.79
    1,1,1-trichloroethane 1556.51
    2-aminoethanol 329.59
    morpholine-4-carbaldehyde 1320.04
    sulfolane 1693.41
    2,2,4-trimethylpentane 18.5
    2-methyltetrahydrofuran 1740.26
    n-hexyl acetate 481.23
    isooctane 13.97
    2-(2-butoxyethoxy)ethanol 542.1
    sec-butyl acetate 368.65
    tert-butyl acetate 681.54
    decalin 25.94
    glycerin 307.64
    diglyme 874.13
    acrylic acid 599.75
    isopropyl myristate 138.85
    n-butyric acid 1448.68
    acetyl acetate 722.15
    di(2-ethylhexyl) phthalate 188.84
    ethyl propionate 356.48
    nitromethane 1729.07
    1,2-diethoxyethane 459.83
    benzonitrile 626.86
    trioctyl phosphate 114.92
    1-bromopropane 684.39
    gamma-valerolactone 2290.94
    n-decanol 82.84
    triethyl phosphate 139.2
    4-methyl-2-pentanol 296.15
    propionitrile 522.18
    vinylene carbonate 987.05
    1,1,2-trichlorotrifluoroethane 1206.52
    DMS 439.7
    cumene 109.82
    2-octanol 106.32
    2-hexanone 426.14
    octyl acetate 197.82
    limonene 133.41
    1,2-dimethoxyethane 772.07
    ethyl orthosilicate 130.88
    tributyl phosphate 155.65
    diacetone alcohol 723.14
    N,N-dimethylaniline 224.39
    acrylonitrile 634.24
    aniline 694.72
    1,3-propanediol 681.62
    bromobenzene 992.83
    dibromomethane 1628.22
    1,1,2,2-tetrachloroethane 2589.16
    2-methyl-cyclohexyl acetate 273.81
    tetrabutyl urea 186.85
    diisobutyl methanol 103.0
    2-phenylethanol 422.27
    styrene 233.24
    dioctyl adipate 223.78
    dimethyl sulfate 460.54
    ethyl butyrate 292.86
    methyl lactate 349.75
    butyl lactate 319.09
    diethyl carbonate 204.48
    propanediol butyl ether 359.63
    triethyl orthoformate 198.12
    p-tert-butyltoluene 84.27
    methyl 4-tert-butylbenzoate 340.77
    morpholine 1658.13
    tert-butylamine 387.85
    n-dodecanol 60.33
    dimethoxymethane 767.53
    ethylene carbonate 875.8
    cyrene 383.35
    2-ethoxyethyl acetate 569.04
    2-ethylhexyl acetate 417.69
    1,2,4-trichlorobenzene 899.65
    4-methylpyridine 1560.41
    dibutyl ether 128.77
    2,6-dimethyl-4-heptanol 103.0
    DEF 884.74
    dimethyl isosorbide 661.39
    tetrachloroethylene 1359.83
    eugenol 340.61
    triacetin 392.8
    span 80 333.11
    1,4-butanediol 202.18
    1,1-dichloroethane 1984.44
    2-methyl-1-pentanol 411.36
    methyl formate 551.08
    2-methyl-1-butanol 633.44
    n-decane 7.24
    butyronitrile 729.6
    3,7-dimethyl-1-octanol 158.79
    1-chlorooctane 72.27
    1-chlorotetradecane 28.81
    n-nonane 5.72
    undecane 5.67
    tert-butylcyclohexane 20.64
    cyclooctane 11.59
    cyclopentanol 886.37
    tetrahydropyran 1481.14
    tert-amyl methyl ether 371.77
    2,5,8-trioxanonane 552.58
    1-hexene 91.52
    2-isopropoxyethanol 389.76
    2,2,2-trifluoroethanol 468.41
    methyl butyrate 572.2

    Scent© AI

1 of 4
Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
No restriction
Category 2
Products applied to the axillae
No restriction Category 7B
Leave-on products applied to the hair with some hand contact
No restriction
Category 3
Products applied to the face/body using fingertips
No restriction Category 8
Products with significant anogenital exposure
No restriction
Category 4
Products related to fine fragrance
No restriction Category 9
Products with body and hand exposure, primarily rinse off
No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
No restriction Category 10A
Household care products with mostly hand contact
No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
No restriction
Category 5D
Baby Creams, baby Oils and baby talc
No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
No restriction
Category 6
Products with oral and lip exposure
No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
No restriction