Propyl 3-cyclohexylpropanoate

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  • Identifiers

    CAS number
    16595-06-5

    Molecular formula
    C12H22O2

    SMILES
    CCCOC(=O)CCC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 83.44%
    Sweet 63.2%
    Pineapple 55.54%
    Peach 42.31%
    Waxy 37.8%
    Green 36.3%
    Apple 34.37%
    Apricot 34.06%
    Winey 33.99%
    Pear 31.66%

     

    Flavor
    Fruity 80.4%
    Green 51.64%
    Pineapple 51.05%
    Fruit 48.78%
    Tropical 41.47%
    Apple 39.24%
    Waxy 38.03%
    Berry 33.45%
    Wine 31.62%
    Pear 31.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.8 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 114.13 ˚C est.

  • Synonyms

    • propyl 3-cyclohexylpropanoate
    • 16595-06-5
    • Cyclohexanepropanoic acid, propyl ester
    • NSC71482
    • propyl3-cyclohexylpropanoate
    • NCIOpen2_000496
    • DTXSID60937141
    • NSC-71482
    • AKOS008948368
    • EN300-80205
    • Z53838266

  • Applications

    Propyl 3-cyclohexylpropanoate is used as an odorant and fixative in perfumery, and as a fragrance component in cosmetics and personal care products. It can be employed in household products such as air fresheners and scented cleaners. It may be evaluated as an aroma compound for flavor applications in some formulations, though use in foods is not guaranteed. In industrial contexts, it is sometimes considered as a processing aid or plasticizer candidate for specialty polymers, and may serve as an intermediate in chemical syntheses, always subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3467.06
    methanol 3402.42
    isopropanol 2759.52
    water 0.06
    ethyl acetate 5158.18
    n-propanol 2519.37
    acetone 5647.21
    n-butanol 2370.58
    acetonitrile 3960.6
    DMF 3597.64
    toluene 1813.3
    isobutanol 1810.92
    1,4-dioxane 4213.99
    methyl acetate 2938.64
    THF 5411.12
    2-butanone 3949.94
    n-pentanol 1328.17
    sec-butanol 1979.49
    n-hexane 321.57
    ethylene glycol 192.86
    NMP 2063.01
    cyclohexane 605.88
    DMSO 3960.24
    n-butyl acetate 3172.66
    n-octanol 460.82
    chloroform 7928.25
    n-propyl acetate 2325.74
    acetic acid 1708.67
    dichloromethane 7802.85
    cyclohexanone 4860.08
    propylene glycol 412.97
    isopropyl acetate 2988.2
    DMAc 2106.34
    2-ethoxyethanol 1517.2
    isopentanol 2087.31
    n-heptane 122.58
    ethyl formate 2026.06
    1,2-dichloroethane 5612.67
    n-hexanol 1440.73
    2-methoxyethanol 2745.56
    isobutyl acetate 1303.96
    tetrachloromethane 880.25
    n-pentyl acetate 1323.99
    transcutol 6292.69
    n-heptanol 468.65
    ethylbenzene 748.85
    MIBK 1838.82
    2-propoxyethanol 2061.22
    tert-butanol 2733.29
    MTBE 3365.96
    2-butoxyethanol 1053.02
    propionic acid 1463.04
    o-xylene 796.23
    formic acid 336.84
    diethyl ether 4304.17
    m-xylene 975.87
    p-xylene 880.82
    chlorobenzene 2466.23
    dimethyl carbonate 640.94
    n-octane 46.67
    formamide 713.72
    cyclopentanone 4313.34
    2-pentanone 3693.36
    anisole 1455.81
    cyclopentyl methyl ether 2717.66
    gamma-butyrolactone 3975.03
    1-methoxy-2-propanol 2192.98
    pyridine 4747.22
    3-pentanone 2149.3
    furfural 2945.84
    n-dodecane 36.75
    diethylene glycol 1056.28
    diisopropyl ether 938.02
    tert-amyl alcohol 1882.39
    acetylacetone 3268.92
    n-hexadecane 45.72
    acetophenone 1223.43
    methyl propionate 2403.53
    isopentyl acetate 2431.44
    trichloroethylene 8479.77
    n-nonanol 390.21
    cyclohexanol 2001.63
    benzyl alcohol 1022.04
    2-ethylhexanol 843.16
    isooctanol 411.98
    dipropyl ether 1226.3
    1,2-dichlorobenzene 1956.96
    ethyl lactate 573.5
    propylene carbonate 2143.76
    n-methylformamide 1665.57
    2-pentanol 1666.66
    n-pentane 252.14
    1-propoxy-2-propanol 1692.69
    1-methoxy-2-propyl acetate 2125.59
    2-(2-methoxypropoxy) propanol 973.73
    mesitylene 558.72
    ε-caprolactone 3578.66
    p-cymene 360.35
    epichlorohydrin 5228.13
    1,1,1-trichloroethane 4360.01
    2-aminoethanol 664.44
    morpholine-4-carbaldehyde 2418.61
    sulfolane 3390.66
    2,2,4-trimethylpentane 107.52
    2-methyltetrahydrofuran 4357.86
    n-hexyl acetate 1552.51
    isooctane 97.71
    2-(2-butoxyethoxy)ethanol 1463.55
    sec-butyl acetate 1562.39
    tert-butyl acetate 2291.87
    decalin 209.75
    glycerin 458.44
    diglyme 2824.35
    acrylic acid 979.08
    isopropyl myristate 501.56
    n-butyric acid 3216.37
    acetyl acetate 2139.59
    di(2-ethylhexyl) phthalate 416.0
    ethyl propionate 1925.58
    nitromethane 3506.29
    1,2-diethoxyethane 2823.47
    benzonitrile 1914.96
    trioctyl phosphate 283.61
    1-bromopropane 3464.8
    gamma-valerolactone 4606.07
    n-decanol 270.46
    triethyl phosphate 453.72
    4-methyl-2-pentanol 808.89
    propionitrile 2900.83
    vinylene carbonate 1856.32
    1,1,2-trichlorotrifluoroethane 2262.66
    DMS 1083.77
    cumene 416.16
    2-octanol 350.37
    2-hexanone 2014.76
    octyl acetate 592.61
    limonene 599.61
    1,2-dimethoxyethane 3240.39
    ethyl orthosilicate 459.5
    tributyl phosphate 422.64
    diacetone alcohol 1678.36
    N,N-dimethylaniline 731.09
    acrylonitrile 2876.43
    aniline 1794.73
    1,3-propanediol 1278.31
    bromobenzene 2906.68
    dibromomethane 5390.26
    1,1,2,2-tetrachloroethane 6379.09
    2-methyl-cyclohexyl acetate 906.11
    tetrabutyl urea 484.45
    diisobutyl methanol 464.83
    2-phenylethanol 989.63
    styrene 1196.48
    dioctyl adipate 713.76
    dimethyl sulfate 842.9
    ethyl butyrate 1693.03
    methyl lactate 694.23
    butyl lactate 831.1
    diethyl carbonate 950.99
    propanediol butyl ether 849.52
    triethyl orthoformate 898.92
    p-tert-butyltoluene 347.41
    methyl 4-tert-butylbenzoate 807.95
    morpholine 5459.58
    tert-butylamine 1736.74
    n-dodecanol 199.68
    dimethoxymethane 2379.33
    ethylene carbonate 1745.77
    cyrene 624.82
    2-ethoxyethyl acetate 1745.89
    2-ethylhexyl acetate 1690.27
    1,2,4-trichlorobenzene 2071.95
    4-methylpyridine 4160.62
    dibutyl ether 1140.17
    2,6-dimethyl-4-heptanol 464.83
    DEF 3016.86
    dimethyl isosorbide 1461.64
    tetrachloroethylene 3600.47
    eugenol 774.53
    triacetin 1183.36
    span 80 854.12
    1,4-butanediol 424.14
    1,1-dichloroethane 5950.07
    2-methyl-1-pentanol 1166.4
    methyl formate 1136.59
    2-methyl-1-butanol 1679.02
    n-decane 69.68
    butyronitrile 3414.51
    3,7-dimethyl-1-octanol 604.84
    1-chlorooctane 427.14
    1-chlorotetradecane 141.9
    n-nonane 68.33
    undecane 48.38
    tert-butylcyclohexane 172.65
    cyclooctane 142.25
    cyclopentanol 1794.41
    tetrahydropyran 5615.08
    tert-amyl methyl ether 1775.44
    2,5,8-trioxanonane 1612.52
    1-hexene 1408.16
    2-isopropoxyethanol 1174.1
    2,2,2-trifluoroethanol 412.32
    methyl butyrate 2795.53

    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