1-(1-Methyl-4-propan-2-ylcyclohexyl)propan-1-one

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  • Identifiers

    Molecular formula
    C13H24O

    SMILES
    CCC(=O)C1(CCC(CC1)C(C)C)C

  • Odor profile

    Herbal 72.05%
    Woody 60.58%
    Fresh 50.99%
    Mint 47.93%
    Floral 46.1%
    Green 44.82%
    Fruity 44.11%
    Camphoreous 43.24%
    Citrus 35.5%
    Pine 34.21%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    9.65 (weak base)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point est.
    104.37 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2442.28
    methanol 2544.56
    isopropanol 2482.69
    water 0.91
    ethyl acetate 5157.18
    n-propanol 2345.59
    acetone 4631.54
    n-butanol 2484.68
    acetonitrile 4522.16
    DMF 3694.62
    toluene 2961.48
    isobutanol 1906.13
    1,4-dioxane 5965.48
    methyl acetate 3487.28
    THF 6143.48
    2-butanone 3923.33
    n-pentanol 1229.03
    sec-butanol 1771.72
    n-hexane 668.89
    ethylene glycol 149.02
    NMP 2529.62
    cyclohexane 1277.21
    DMSO 1781.48
    n-butyl acetate 4385.02
    n-octanol 784.5
    chloroform 9322.12
    n-propyl acetate 2619.3
    acetic acid 1651.38
    dichloromethane 7501.85
    cyclohexanone 5907.32
    propylene glycol 276.66
    isopropyl acetate 3627.54
    DMAc 2177.12
    2-ethoxyethanol 1383.66
    isopentanol 2558.12
    n-heptane 289.94
    ethyl formate 2399.62
    1,2-dichloroethane 5149.03
    n-hexanol 2077.44
    2-methoxyethanol 2593.01
    isobutyl acetate 1620.54
    tetrachloromethane 2291.81
    n-pentyl acetate 2087.9
    transcutol 7411.74
    n-heptanol 865.46
    ethylbenzene 1391.82
    MIBK 2356.74
    2-propoxyethanol 2590.65
    tert-butanol 3190.07
    MTBE 5316.63
    2-butoxyethanol 1463.13
    propionic acid 1585.3
    o-xylene 1660.13
    formic acid 397.45
    diethyl ether 5093.02
    m-xylene 1864.31
    p-xylene 1797.5
    chlorobenzene 4116.19
    dimethyl carbonate 930.81
    n-octane 109.72
    formamide 826.14
    cyclopentanone 4957.1
    2-pentanone 3710.95
    anisole 2493.45
    cyclopentyl methyl ether 3365.55
    gamma-butyrolactone 5072.54
    1-methoxy-2-propanol 2061.13
    pyridine 4953.51
    3-pentanone 2805.24
    furfural 4186.31
    n-dodecane 55.61
    diethylene glycol 1035.01
    diisopropyl ether 1685.47
    tert-amyl alcohol 2377.62
    acetylacetone 3412.14
    n-hexadecane 71.02
    acetophenone 1855.48
    methyl propionate 2759.77
    isopentyl acetate 3739.93
    trichloroethylene 8780.1
    n-nonanol 679.85
    cyclohexanol 2454.75
    benzyl alcohol 1362.15
    2-ethylhexanol 1316.29
    isooctanol 797.25
    dipropyl ether 1903.69
    1,2-dichlorobenzene 3334.71
    ethyl lactate 617.97
    propylene carbonate 2799.13
    n-methylformamide 2189.71
    2-pentanol 1791.88
    n-pentane 553.77
    1-propoxy-2-propanol 2199.2
    1-methoxy-2-propyl acetate 2940.9
    2-(2-methoxypropoxy) propanol 1223.53
    mesitylene 1208.36
    ε-caprolactone 4690.87
    p-cymene 810.79
    epichlorohydrin 5686.12
    1,1,1-trichloroethane 6436.92
    2-aminoethanol 538.69
    morpholine-4-carbaldehyde 3439.71
    sulfolane 3550.23
    2,2,4-trimethylpentane 287.47
    2-methyltetrahydrofuran 4762.98
    n-hexyl acetate 2432.84
    isooctane 278.78
    2-(2-butoxyethoxy)ethanol 1858.13
    sec-butyl acetate 2068.56
    tert-butyl acetate 3242.25
    decalin 465.29
    glycerin 365.41
    diglyme 3719.03
    acrylic acid 1112.57
    isopropyl myristate 760.72
    n-butyric acid 3474.63
    acetyl acetate 2626.85
    di(2-ethylhexyl) phthalate 615.03
    ethyl propionate 2214.01
    nitromethane 3556.2
    1,2-diethoxyethane 3728.71
    benzonitrile 3152.6
    trioctyl phosphate 427.34
    1-bromopropane 3436.15
    gamma-valerolactone 5861.96
    n-decanol 427.55
    triethyl phosphate 690.1
    4-methyl-2-pentanol 1139.22
    propionitrile 4062.83
    vinylene carbonate 2741.78
    1,1,2-trichlorotrifluoroethane 2524.05
    DMS 1673.62
    cumene 889.12
    2-octanol 635.11
    2-hexanone 2277.89
    octyl acetate 893.34
    limonene 1160.77
    1,2-dimethoxyethane 3473.25
    ethyl orthosilicate 778.84
    tributyl phosphate 650.99
    diacetone alcohol 2004.14
    N,N-dimethylaniline 1373.81
    acrylonitrile 3915.09
    aniline 2795.42
    1,3-propanediol 1170.91
    bromobenzene 4480.24
    dibromomethane 5402.08
    1,1,2,2-tetrachloroethane 6729.92
    2-methyl-cyclohexyl acetate 1441.72
    tetrabutyl urea 657.83
    diisobutyl methanol 758.02
    2-phenylethanol 1586.16
    styrene 1894.38
    dioctyl adipate 933.48
    dimethyl sulfate 1084.69
    ethyl butyrate 2254.93
    methyl lactate 714.22
    butyl lactate 1171.9
    diethyl carbonate 1323.94
    propanediol butyl ether 1024.21
    triethyl orthoformate 1466.81
    p-tert-butyltoluene 810.11
    methyl 4-tert-butylbenzoate 1358.81
    morpholine 6058.39
    tert-butylamine 2692.26
    n-dodecanol 289.44
    dimethoxymethane 2487.93
    ethylene carbonate 2582.18
    cyrene 823.22
    2-ethoxyethyl acetate 2524.71
    2-ethylhexyl acetate 2792.95
    1,2,4-trichlorobenzene 3416.4
    4-methylpyridine 5778.79
    dibutyl ether 1656.1
    2,6-dimethyl-4-heptanol 758.02
    DEF 3635.95
    dimethyl isosorbide 2147.21
    tetrachloroethylene 4832.96
    eugenol 1140.77
    triacetin 1552.94
    span 80 1007.25
    1,4-butanediol 325.85
    1,1-dichloroethane 6091.82
    2-methyl-1-pentanol 1313.31
    methyl formate 1450.26
    2-methyl-1-butanol 2006.32
    n-decane 128.58
    butyronitrile 4172.02
    3,7-dimethyl-1-octanol 958.58
    1-chlorooctane 712.66
    1-chlorotetradecane 205.61
    n-nonane 131.09
    undecane 79.41
    tert-butylcyclohexane 424.17
    cyclooctane 367.15
    cyclopentanol 1954.35
    tetrahydropyran 6409.43
    tert-amyl methyl ether 2650.95
    2,5,8-trioxanonane 1922.38
    1-hexene 1730.94
    2-isopropoxyethanol 1103.2
    2,2,2-trifluoroethanol 614.73
    methyl butyrate 2869.82

    Scent© AI

1 3

IFRA standard 51

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