Methyl 2-methyl-2-(4-methylcyclohexyl)propanoate

  • Identifiers

    Molecular formula
    C12H22O2

    SMILES
    CC1CCC(CC1)C(C)(C)C(=O)OC

  • Odor profile

    Fragrance
    Fruity 63.64%
    Woody 60.38%
    Herbal 57.71%
    Floral 49.83%
    Fresh 42.11%
    Sweet 37.48%
    Green 36.44%
    Spicy 32.28%
    Citrus 31.95%
    Dry 31.79%

     

    Flavor
    Green 47.48%
    Fruity 43.6%
    Woody 41.26%
    Herbal 40.33%
    Sweet 37.68%
    Tropical 32.3%
    Citrus 29.98%
    Pine 27.36%
    Camphor 26.78%
    Fruit 25.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.6 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 97.87 ˚C est.

  • Applications

    Typically used in fragrance chemistry as an odorant and potential fixative, Methyl 2-methyl-2-(4-methylcyclohexyl)propanoate also serves as a fragrance ingredient in cosmetics and personal care products. It is commonly evaluated as an aroma intermediate in industrial manufacturing and may appear as a scented additive in household cleaners and other consumer products. In coatings, inks and polymer/plastics formulations, it may be used to impart fragrance, within regulatory limits. It is sometimes considered for flavor-related applications where permitted, though such use depends on regional approvals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1495.48
    methanol 1564.06
    isopropanol 1638.45
    water 0.72
    ethyl acetate 2112.01
    n-propanol 1492.54
    acetone 1847.97
    n-butanol 1386.5
    acetonitrile 2256.18
    DMF 1799.23
    toluene 1376.8
    isobutanol 1164.61
    1,4-dioxane 2968.44
    methyl acetate 1665.31
    THF 3003.06
    2-butanone 1865.12
    n-pentanol 745.75
    sec-butanol 1253.62
    n-hexane 148.2
    ethylene glycol 103.68
    NMP 1338.65
    cyclohexane 391.78
    DMSO 852.6
    n-butyl acetate 1685.17
    n-octanol 456.2
    chloroform 5703.33
    n-propyl acetate 1107.29
    acetic acid 1051.96
    dichloromethane 4453.89
    cyclohexanone 2594.31
    propylene glycol 214.05
    isopropyl acetate 1322.33
    DMAc 1064.11
    2-ethoxyethanol 851.99
    isopentanol 1255.76
    n-heptane 86.23
    ethyl formate 1383.92
    1,2-dichloroethane 2560.83
    n-hexanol 1096.86
    2-methoxyethanol 1575.49
    isobutyl acetate 683.47
    tetrachloromethane 1153.15
    n-pentyl acetate 879.34
    transcutol 2605.36
    n-heptanol 511.6
    ethylbenzene 672.71
    MIBK 946.07
    2-propoxyethanol 1283.07
    tert-butanol 1926.02
    MTBE 2141.63
    2-butoxyethanol 786.5
    propionic acid 940.9
    o-xylene 767.68
    formic acid 307.71
    diethyl ether 1818.23
    m-xylene 836.85
    p-xylene 908.26
    chlorobenzene 1944.38
    dimethyl carbonate 451.1
    n-octane 42.35
    formamide 587.87
    cyclopentanone 2382.29
    2-pentanone 1556.86
    anisole 1170.53
    cyclopentyl methyl ether 1458.53
    gamma-butyrolactone 2643.88
    1-methoxy-2-propanol 1169.67
    pyridine 2721.73
    3-pentanone 1064.41
    furfural 2178.68
    n-dodecane 28.68
    diethylene glycol 594.22
    diisopropyl ether 558.94
    tert-amyl alcohol 1395.81
    acetylacetone 1274.2
    n-hexadecane 35.8
    acetophenone 952.17
    methyl propionate 1227.92
    isopentyl acetate 1368.01
    trichloroethylene 4971.43
    n-nonanol 378.26
    cyclohexanol 1284.7
    benzyl alcohol 789.59
    2-ethylhexanol 614.58
    isooctanol 444.83
    dipropyl ether 648.21
    1,2-dichlorobenzene 1565.21
    ethyl lactate 344.47
    propylene carbonate 1528.22
    n-methylformamide 1241.07
    2-pentanol 989.81
    n-pentane 163.32
    1-propoxy-2-propanol 1008.07
    1-methoxy-2-propyl acetate 1170.37
    2-(2-methoxypropoxy) propanol 573.55
    mesitylene 529.68
    ε-caprolactone 2157.41
    p-cymene 387.64
    epichlorohydrin 2906.44
    1,1,1-trichloroethane 3392.57
    2-aminoethanol 389.77
    morpholine-4-carbaldehyde 1639.36
    sulfolane 1786.35
    2,2,4-trimethylpentane 102.57
    2-methyltetrahydrofuran 2383.66
    n-hexyl acetate 1049.36
    isooctane 95.11
    2-(2-butoxyethoxy)ethanol 843.04
    sec-butyl acetate 812.55
    tert-butyl acetate 1175.89
    decalin 160.73
    glycerin 254.08
    diglyme 1566.29
    acrylic acid 690.74
    isopropyl myristate 325.9
    n-butyric acid 1741.45
    acetyl acetate 1047.9
    di(2-ethylhexyl) phthalate 303.55
    ethyl propionate 899.32
    nitromethane 2030.44
    1,2-diethoxyethane 1156.42
    benzonitrile 1567.76
    trioctyl phosphate 217.16
    1-bromopropane 1584.09
    gamma-valerolactone 2866.2
    n-decanol 238.76
    triethyl phosphate 317.1
    4-methyl-2-pentanol 551.15
    propionitrile 2082.51
    vinylene carbonate 1529.28
    1,1,2-trichlorotrifluoroethane 1442.49
    DMS 682.86
    cumene 403.56
    2-octanol 364.45
    2-hexanone 989.87
    octyl acetate 423.22
    limonene 517.51
    1,2-dimethoxyethane 1634.55
    ethyl orthosilicate 327.64
    tributyl phosphate 286.0
    diacetone alcohol 981.4
    N,N-dimethylaniline 628.88
    acrylonitrile 2071.46
    aniline 1397.22
    1,3-propanediol 797.56
    bromobenzene 2134.41
    dibromomethane 3020.86
    1,1,2,2-tetrachloroethane 3670.89
    2-methyl-cyclohexyl acetate 619.08
    tetrabutyl urea 310.87
    diisobutyl methanol 354.95
    2-phenylethanol 813.63
    styrene 861.44
    dioctyl adipate 416.76
    dimethyl sulfate 520.26
    ethyl butyrate 930.4
    methyl lactate 403.19
    butyl lactate 569.86
    diethyl carbonate 580.71
    propanediol butyl ether 614.14
    triethyl orthoformate 576.85
    p-tert-butyltoluene 386.43
    methyl 4-tert-butylbenzoate 670.21
    morpholine 3161.21
    tert-butylamine 1354.06
    n-dodecanol 162.56
    dimethoxymethane 1179.1
    ethylene carbonate 1298.67
    cyrene 494.12
    2-ethoxyethyl acetate 1013.47
    2-ethylhexyl acetate 1010.96
    1,2,4-trichlorobenzene 1698.65
    4-methylpyridine 2703.11
    dibutyl ether 552.4
    2,6-dimethyl-4-heptanol 354.95
    DEF 1396.04
    dimethyl isosorbide 1041.28
    tetrachloroethylene 2430.27
    eugenol 607.27
    triacetin 704.25
    span 80 523.36
    1,4-butanediol 250.95
    1,1-dichloroethane 3352.7
    2-methyl-1-pentanol 724.28
    methyl formate 906.69
    2-methyl-1-butanol 1071.97
    n-decane 59.96
    butyronitrile 2096.02
    3,7-dimethyl-1-octanol 474.45
    1-chlorooctane 349.16
    1-chlorotetradecane 106.14
    n-nonane 57.57
    undecane 39.44
    tert-butylcyclohexane 145.6
    cyclooctane 112.11
    cyclopentanol 1186.7
    tetrahydropyran 2917.14
    tert-amyl methyl ether 1057.55
    2,5,8-trioxanonane 850.11
    1-hexene 562.01
    2-isopropoxyethanol 617.02
    2,2,2-trifluoroethanol 411.62
    methyl butyrate 1241.4

    Scent© AI

1 of 3
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