(4-Tert-butyl-2-methylcyclohexyl) acetate

  • Identifiers

    Molecular formula
    C13H24O2

    SMILES
    CC1CC(CCC1OC(=O)C)C(C)(C)C

  • Odor profile

    Fragrance
    Woody 77.48%
    Floral 67.47%
    Fruity 67.35%
    Herbal 65.85%
    Fresh 47.48%
    Pine 45.11%
    Sweet 44.92%
    Green 44.75%
    Spicy 44.67%
    Camphoreous 44.44%

     

    Flavor
    Sweet 66.15%
    Herbal 64.48%
    Woody 55.08%
    Citrus 37.74%
    Camphor 37.45%
    Pine 36.78%
    Tropical 35.2%
    Mint 34.5%
    Minty 34.35%
    Green 34.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.82 (weak base)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    247°C

    Flash point

    • 101.69 ˚C est.

  • Applications

    In perfumery, (4-Tert-butyl-2-methylcyclohexyl) acetate is used as an odorant and may function as a fragrance fixative to help extend note longevity. In cosmetics and personal care, it can serve as a fragrance ingredient in products such as lotions, shampoos, and creams. In household products, it is sometimes added to air fresheners, detergents, and cleaners to impart a lasting scent. In industrial manufacturing related to fragrance chemistry, it may act as an intermediate in the synthesis of aroma compounds or as a formulation component facilitating fragrance release.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1324.06
    methanol 1271.7
    isopropanol 1874.17
    water 1.7
    ethyl acetate 2285.68
    n-propanol 1269.59
    acetone 2129.62
    n-butanol 1258.43
    acetonitrile 1340.43
    DMF 2419.65
    toluene 930.8
    isobutanol 1343.91
    1,4-dioxane 2330.85
    methyl acetate 2008.75
    THF 3818.21
    2-butanone 2107.26
    n-pentanol 743.95
    sec-butanol 1434.17
    n-hexane 303.62
    ethylene glycol 300.89
    NMP 1560.92
    cyclohexane 315.51
    DMSO 1354.92
    n-butyl acetate 1592.13
    n-octanol 733.19
    chloroform 3414.28
    n-propyl acetate 1031.83
    acetic acid 824.43
    dichloromethane 2403.04
    cyclohexanone 2329.43
    propylene glycol 683.36
    isopropyl acetate 1940.1
    DMAc 2139.49
    2-ethoxyethanol 954.27
    isopentanol 1350.16
    n-heptane 139.1
    ethyl formate 896.78
    1,2-dichloroethane 1910.58
    n-hexanol 1492.58
    2-methoxyethanol 1643.86
    isobutyl acetate 977.54
    tetrachloromethane 649.51
    n-pentyl acetate 885.07
    transcutol 3291.99
    n-heptanol 622.28
    ethylbenzene 580.19
    MIBK 1343.93
    2-propoxyethanol 1920.52
    tert-butanol 2717.72
    MTBE 3252.07
    2-butoxyethanol 963.53
    propionic acid 1098.27
    o-xylene 677.56
    formic acid 235.78
    diethyl ether 1801.67
    m-xylene 876.23
    p-xylene 756.92
    chlorobenzene 1123.16
    dimethyl carbonate 697.11
    n-octane 95.35
    formamide 318.75
    cyclopentanone 2505.29
    2-pentanone 1805.22
    anisole 1119.67
    cyclopentyl methyl ether 1954.51
    gamma-butyrolactone 2400.64
    1-methoxy-2-propanol 1917.77
    pyridine 1278.96
    3-pentanone 1346.76
    furfural 1658.06
    n-dodecane 79.29
    diethylene glycol 1117.05
    diisopropyl ether 906.97
    tert-amyl alcohol 1967.56
    acetylacetone 2013.63
    n-hexadecane 92.01
    acetophenone 891.33
    methyl propionate 1591.1
    isopentyl acetate 1691.83
    trichloroethylene 2995.2
    n-nonanol 617.5
    cyclohexanol 1301.98
    benzyl alcohol 703.69
    2-ethylhexanol 789.61
    isooctanol 563.91
    dipropyl ether 816.3
    1,2-dichlorobenzene 1039.53
    ethyl lactate 513.2
    propylene carbonate 1517.91
    n-methylformamide 953.95
    2-pentanol 1178.09
    n-pentane 226.53
    1-propoxy-2-propanol 1539.83
    1-methoxy-2-propyl acetate 1798.5
    2-(2-methoxypropoxy) propanol 910.74
    mesitylene 592.45
    ε-caprolactone 1948.98
    p-cymene 370.92
    epichlorohydrin 2748.63
    1,1,1-trichloroethane 2673.9
    2-aminoethanol 653.91
    morpholine-4-carbaldehyde 1935.99
    sulfolane 2392.26
    2,2,4-trimethylpentane 176.64
    2-methyltetrahydrofuran 2789.2
    n-hexyl acetate 1466.63
    isooctane 173.48
    2-(2-butoxyethoxy)ethanol 1254.29
    sec-butyl acetate 1007.96
    tert-butyl acetate 2142.59
    decalin 207.48
    glycerin 666.25
    diglyme 1958.41
    acrylic acid 727.03
    isopropyl myristate 553.48
    n-butyric acid 1567.97
    acetyl acetate 1340.06
    di(2-ethylhexyl) phthalate 409.29
    ethyl propionate 997.45
    nitromethane 1537.97
    1,2-diethoxyethane 1441.23
    benzonitrile 963.91
    trioctyl phosphate 335.27
    1-bromopropane 1496.99
    gamma-valerolactone 2824.22
    n-decanol 459.1
    triethyl phosphate 377.19
    4-methyl-2-pentanol 898.4
    propionitrile 1282.62
    vinylene carbonate 1193.23
    1,1,2-trichlorotrifluoroethane 1542.41
    DMS 1122.39
    cumene 460.47
    2-octanol 527.41
    2-hexanone 1103.06
    octyl acetate 686.17
    limonene 554.08
    1,2-dimethoxyethane 1661.32
    ethyl orthosilicate 391.83
    tributyl phosphate 435.46
    diacetone alcohol 1753.27
    N,N-dimethylaniline 706.96
    acrylonitrile 1220.34
    aniline 1019.44
    1,3-propanediol 865.55
    bromobenzene 1279.79
    dibromomethane 1809.53
    1,1,2,2-tetrachloroethane 2982.53
    2-methyl-cyclohexyl acetate 743.2
    tetrabutyl urea 478.13
    diisobutyl methanol 486.83
    2-phenylethanol 949.01
    styrene 646.95
    dioctyl adipate 635.0
    dimethyl sulfate 1033.91
    ethyl butyrate 902.72
    methyl lactate 781.39
    butyl lactate 743.33
    diethyl carbonate 571.47
    propanediol butyl ether 1048.26
    triethyl orthoformate 616.68
    p-tert-butyltoluene 412.78
    methyl 4-tert-butylbenzoate 880.68
    morpholine 2508.27
    tert-butylamine 1783.05
    n-dodecanol 352.29
    dimethoxymethane 1714.28
    ethylene carbonate 1146.37
    cyrene 672.04
    2-ethoxyethyl acetate 1142.49
    2-ethylhexyl acetate 1222.68
    1,2,4-trichlorobenzene 1142.66
    4-methylpyridine 1741.57
    dibutyl ether 920.2
    2,6-dimethyl-4-heptanol 486.83
    DEF 1590.76
    dimethyl isosorbide 1464.5
    tetrachloroethylene 1596.32
    eugenol 733.88
    triacetin 1084.63
    span 80 826.62
    1,4-butanediol 408.04
    1,1-dichloroethane 2644.56
    2-methyl-1-pentanol 800.92
    methyl formate 781.66
    2-methyl-1-butanol 1180.7
    n-decane 143.11
    butyronitrile 1476.68
    3,7-dimethyl-1-octanol 793.02
    1-chlorooctane 571.96
    1-chlorotetradecane 229.07
    n-nonane 145.18
    undecane 102.73
    tert-butylcyclohexane 236.02
    cyclooctane 133.48
    cyclopentanol 1391.67
    tetrahydropyran 2474.81
    tert-amyl methyl ether 1903.56
    2,5,8-trioxanonane 1187.54
    1-hexene 834.06
    2-isopropoxyethanol 920.88
    2,2,2-trifluoroethanol 438.02
    methyl butyrate 1149.04

    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