4-Octylcyclohexan-1-one

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  • Identifiers

    CAS number
    6814-19-3

    Molecular formula
    C14H26O

    SMILES
    CCCCCCCCC1CCC(=O)CC1

  • Odor profile

    Fragrance
    Waxy 64.15%
    Fatty 63.78%
    Floral 58.49%
    Fruity 54.38%
    Jasmin 48.53%
    Oily 44.88%
    Coconut 44.46%
    Creamy 44.12%
    Sweet 43.77%
    Peach 43.55%

     

    Flavor
    Fatty 57.01%
    Waxy 56.39%
    Fruity 51.6%
    Creamy 43.38%
    Coconut 41.07%
    Fresh 40.43%
    Sweet 40.18%
    Peach 37.58%
    Fat 34.52%
    Oily 34.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.4 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 118.34 ˚C est.

  • Synonyms

    • 4-OCTYLCYCLOHEXAN-1-ONE
    • 4-Octylcyclohexanone
    • 6814-19-3
    • SCHEMBL8640867
    • DTXSID90541831
    • MFCD26030820
    • AKOS021583885
    • BS-41677
    • CS-0061495
    • W17271
    • Q63398647

  • Applications

    4-Octylcyclohexan-1-one (CAS 6814-19-3) is primarily used as a fragrance ingredient, functioning as an odorant with potential fixative properties in perfumery and personal care products; it also serves as a precursor in fragrance synthesis for the fragrance industry; it may be employed in cosmetics and household products as a fragrance additive; in industrial manufacturing, it can act as an intermediate in fragrance-related synthesis; and it may be used as an odorant additive in coatings and printing inks to impart scent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2178.84
    methanol 1103.78
    isopropanol 2621.21
    water 0.01
    ethyl acetate 5322.34
    n-propanol 2105.79
    acetone 4850.42
    n-butanol 2207.36
    acetonitrile 2528.46
    DMF 1866.5
    toluene 1681.61
    isobutanol 1539.11
    1,4-dioxane 4677.99
    methyl acetate 2803.67
    THF 6370.82
    2-butanone 4420.15
    n-pentanol 1335.19
    sec-butanol 2056.44
    n-hexane 914.03
    ethylene glycol 60.82
    NMP 1290.9
    cyclohexane 1318.61
    DMSO 2249.17
    n-butyl acetate 4164.76
    n-octanol 575.6
    chloroform 6864.59
    n-propyl acetate 3357.85
    acetic acid 764.01
    dichloromethane 6292.09
    cyclohexanone 5246.69
    propylene glycol 210.33
    isopropyl acetate 3447.4
    DMAc 1513.34
    2-ethoxyethanol 1518.93
    isopentanol 2130.94
    n-heptane 440.54
    ethyl formate 1582.85
    1,2-dichloroethane 4569.55
    n-hexanol 1583.47
    2-methoxyethanol 2231.39
    isobutyl acetate 1844.24
    tetrachloromethane 1093.72
    n-pentyl acetate 2036.87
    transcutol 7506.45
    n-heptanol 599.55
    ethylbenzene 856.09
    MIBK 2318.65
    2-propoxyethanol 2280.59
    tert-butanol 3022.24
    MTBE 4774.06
    2-butoxyethanol 1228.67
    propionic acid 976.11
    o-xylene 853.79
    formic acid 80.6
    diethyl ether 6119.01
    m-xylene 974.77
    p-xylene 1014.2
    chlorobenzene 2022.89
    dimethyl carbonate 423.23
    n-octane 136.61
    formamide 190.06
    cyclopentanone 3796.26
    2-pentanone 4600.15
    anisole 1590.39
    cyclopentyl methyl ether 3398.42
    gamma-butyrolactone 3129.99
    1-methoxy-2-propanol 2225.2
    pyridine 3948.93
    3-pentanone 2554.93
    furfural 2244.42
    n-dodecane 69.1
    diethylene glycol 693.7
    diisopropyl ether 1598.03
    tert-amyl alcohol 2064.11
    acetylacetone 3187.41
    n-hexadecane 87.18
    acetophenone 1245.05
    methyl propionate 2239.6
    isopentyl acetate 3387.26
    trichloroethylene 6056.38
    n-nonanol 531.01
    cyclohexanol 2187.59
    benzyl alcohol 884.43
    2-ethylhexanol 1199.74
    isooctanol 595.17
    dipropyl ether 3081.15
    1,2-dichlorobenzene 1711.36
    ethyl lactate 612.26
    propylene carbonate 1870.14
    n-methylformamide 753.31
    2-pentanol 1759.0
    n-pentane 519.16
    1-propoxy-2-propanol 2302.46
    1-methoxy-2-propyl acetate 2702.32
    2-(2-methoxypropoxy) propanol 1011.16
    mesitylene 646.77
    ε-caprolactone 3795.7
    p-cymene 510.96
    epichlorohydrin 4590.92
    1,1,1-trichloroethane 4465.41
    2-aminoethanol 310.7
    morpholine-4-carbaldehyde 2127.48
    sulfolane 2671.81
    2,2,4-trimethylpentane 185.46
    2-methyltetrahydrofuran 5455.16
    n-hexyl acetate 2165.38
    isooctane 183.21
    2-(2-butoxyethoxy)ethanol 1604.33
    sec-butyl acetate 2269.86
    tert-butyl acetate 3175.03
    decalin 375.91
    glycerin 239.64
    diglyme 3402.14
    acrylic acid 489.2
    isopropyl myristate 751.84
    n-butyric acid 2858.16
    acetyl acetate 1927.58
    di(2-ethylhexyl) phthalate 432.5
    ethyl propionate 2516.4
    nitromethane 1794.58
    1,2-diethoxyethane 4765.33
    benzonitrile 1586.77
    trioctyl phosphate 326.77
    1-bromopropane 4139.42
    gamma-valerolactone 4435.45
    n-decanol 370.53
    triethyl phosphate 675.25
    4-methyl-2-pentanol 947.46
    propionitrile 2719.44
    vinylene carbonate 1407.1
    1,1,2-trichlorotrifluoroethane 1816.06
    DMS 1073.86
    cumene 529.89
    2-octanol 484.74
    2-hexanone 2839.24
    octyl acetate 788.2
    limonene 971.36
    1,2-dimethoxyethane 4157.18
    ethyl orthosilicate 723.63
    tributyl phosphate 511.92
    diacetone alcohol 1959.74
    N,N-dimethylaniline 789.6
    acrylonitrile 1997.53
    aniline 1477.95
    1,3-propanediol 814.99
    bromobenzene 2383.4
    dibromomethane 4912.08
    1,1,2,2-tetrachloroethane 5144.08
    2-methyl-cyclohexyl acetate 1282.2
    tetrabutyl urea 577.08
    diisobutyl methanol 760.96
    2-phenylethanol 960.91
    styrene 1219.49
    dioctyl adipate 932.03
    dimethyl sulfate 539.75
    ethyl butyrate 2763.21
    methyl lactate 503.86
    butyl lactate 1016.72
    diethyl carbonate 1338.38
    propanediol butyl ether 775.8
    triethyl orthoformate 1575.49
    p-tert-butyltoluene 504.73
    methyl 4-tert-butylbenzoate 894.16
    morpholine 5966.44
    tert-butylamine 2142.14
    n-dodecanol 275.53
    dimethoxymethane 1969.5
    ethylene carbonate 1583.11
    cyrene 599.8
    2-ethoxyethyl acetate 2307.88
    2-ethylhexyl acetate 2399.35
    1,2,4-trichlorobenzene 1783.26
    4-methylpyridine 3674.02
    dibutyl ether 2388.52
    2,6-dimethyl-4-heptanol 760.96
    DEF 3090.45
    dimethyl isosorbide 1631.27
    tetrachloroethylene 2929.45
    eugenol 729.55
    triacetin 1381.21
    span 80 907.02
    1,4-butanediol 238.6
    1,1-dichloroethane 5436.53
    2-methyl-1-pentanol 1208.87
    methyl formate 468.2
    2-methyl-1-butanol 1672.14
    n-decane 156.51
    butyronitrile 3366.91
    3,7-dimethyl-1-octanol 819.34
    1-chlorooctane 686.42
    1-chlorotetradecane 219.69
    n-nonane 166.85
    undecane 98.12
    tert-butylcyclohexane 321.87
    cyclooctane 351.43
    cyclopentanol 1675.96
    tetrahydropyran 7591.83
    tert-amyl methyl ether 2467.48
    2,5,8-trioxanonane 1778.13
    1-hexene 2671.21
    2-isopropoxyethanol 1288.96
    2,2,2-trifluoroethanol 178.76
    methyl butyrate 3426.95

    Scent© AI

1 4

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