Propan-2-yl cyclohexylacetate

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  • Identifiers

    CAS number
    60784-57-8

    Molecular formula
    C11H20O2

    SMILES
    CC(C)OC(=O)CC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 75.03%
    Sweet 50.35%
    Pineapple 42.77%
    Apple 39.55%
    Waxy 37.42%
    Musk 32.5%
    Peach 31.59%
    Floral 30.88%
    Fatty 30.43%
    Honey 30.16%

     

    Flavor
    Fruity 68.85%
    Tropical 39.77%
    Fruit 36.5%
    Pineapple 35.09%
    Sweet 35.03%
    Green 33.52%
    Herbal 31.57%
    Berry 27.77%
    Rose 26.59%
    Floral 24.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.82 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    228°C

    Flash point

    • 92.68 ˚C est.

  • Synonyms

    • 60784-57-8
    • propan-2-yl cyclohexylacetate
    • NSC71465
    • SCHEMBL7569020
    • DTXSID90290852
    • YRTIBEXZZHLAMV-UHFFFAOYSA-N
    • NSC-71465
    • AKOS008949071

  • Applications

    Propan-2-yl cyclohexylacetate (CAS 60784-57-8) is primarily used as an aroma chemical in perfumery, providing green, fresh notes typical of cyclohexyl acetate derivatives; it also serves as a fragrance ingredient in cosmetic and personal care formulations such as creams, lotions, and shampoos; in household products, it functions as a fragrance component in air fresheners, detergents, and cleaning agents; in industrial manufacturing, it is used as an aroma chemical intermediate in fragrance synthesis, acting as a building block for related esters and new fragrance ingredients. Usage is typically at low concentrations and subject to regulatory and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1789.67
    methanol 2057.38
    isopropanol 1798.77
    water 0.88
    ethyl acetate 903.21
    n-propanol 1381.87
    acetone 1627.13
    n-butanol 1328.35
    acetonitrile 983.22
    DMF 1518.49
    toluene 545.42
    isobutanol 1101.48
    1,4-dioxane 1946.41
    methyl acetate 686.33
    THF 2776.61
    2-butanone 887.06
    n-pentanol 776.54
    sec-butanol 1179.0
    n-hexane 323.22
    ethylene glycol 226.13
    NMP 1239.54
    cyclohexane 585.54
    DMSO 1269.57
    n-butyl acetate 915.01
    n-octanol 386.43
    chloroform 4124.92
    n-propyl acetate 496.65
    acetic acid 1566.92
    dichloromethane 2441.97
    cyclohexanone 1901.16
    propylene glycol 464.68
    isopropyl acetate 654.08
    DMAc 904.02
    2-ethoxyethanol 586.87
    isopentanol 1080.25
    n-heptane 130.25
    ethyl formate 618.41
    1,2-dichloroethane 1416.18
    n-hexanol 1077.27
    2-methoxyethanol 1199.92
    isobutyl acetate 383.95
    tetrachloromethane 487.26
    n-pentyl acetate 454.55
    transcutol 2150.67
    n-heptanol 348.41
    ethylbenzene 284.16
    MIBK 551.53
    2-propoxyethanol 1109.55
    tert-butanol 1779.57
    MTBE 1066.86
    2-butoxyethanol 518.27
    propionic acid 963.78
    o-xylene 310.29
    formic acid 366.07
    diethyl ether 1032.52
    m-xylene 364.56
    p-xylene 381.13
    chlorobenzene 932.08
    dimethyl carbonate 218.7
    n-octane 49.69
    formamide 381.08
    cyclopentanone 1670.57
    2-pentanone 835.39
    anisole 481.92
    cyclopentyl methyl ether 1093.92
    gamma-butyrolactone 1659.93
    1-methoxy-2-propanol 1014.81
    pyridine 1608.67
    3-pentanone 548.61
    furfural 1326.15
    n-dodecane 40.12
    diethylene glycol 660.04
    diisopropyl ether 326.68
    tert-amyl alcohol 1108.63
    acetylacetone 856.82
    n-hexadecane 47.45
    acetophenone 415.3
    methyl propionate 569.67
    isopentyl acetate 782.86
    trichloroethylene 2670.42
    n-nonanol 330.39
    cyclohexanol 1419.52
    benzyl alcohol 442.14
    2-ethylhexanol 513.91
    isooctanol 279.37
    dipropyl ether 528.58
    1,2-dichlorobenzene 746.43
    ethyl lactate 235.72
    propylene carbonate 1001.42
    n-methylformamide 700.2
    2-pentanol 916.27
    n-pentane 231.94
    1-propoxy-2-propanol 856.36
    1-methoxy-2-propyl acetate 654.88
    2-(2-methoxypropoxy) propanol 509.27
    mesitylene 244.16
    ε-caprolactone 1364.84
    p-cymene 185.24
    epichlorohydrin 1658.98
    1,1,1-trichloroethane 1557.75
    2-aminoethanol 552.26
    morpholine-4-carbaldehyde 1138.26
    sulfolane 1586.74
    2,2,4-trimethylpentane 83.72
    2-methyltetrahydrofuran 1754.31
    n-hexyl acetate 685.45
    isooctane 71.4
    2-(2-butoxyethoxy)ethanol 717.99
    sec-butyl acetate 375.31
    tert-butyl acetate 651.1
    decalin 153.79
    glycerin 472.74
    diglyme 1132.06
    acrylic acid 748.81
    isopropyl myristate 266.2
    n-butyric acid 1679.29
    acetyl acetate 621.23
    di(2-ethylhexyl) phthalate 258.44
    ethyl propionate 400.69
    nitromethane 1323.76
    1,2-diethoxyethane 720.53
    benzonitrile 742.94
    trioctyl phosphate 186.16
    1-bromopropane 1037.62
    gamma-valerolactone 1844.12
    n-decanol 238.08
    triethyl phosphate 210.42
    4-methyl-2-pentanol 452.46
    propionitrile 858.14
    vinylene carbonate 873.17
    1,1,2-trichlorotrifluoroethane 1193.26
    DMS 416.34
    cumene 199.15
    2-octanol 257.19
    2-hexanone 571.7
    octyl acetate 337.23
    limonene 322.36
    1,2-dimethoxyethane 1177.18
    ethyl orthosilicate 214.03
    tributyl phosphate 242.36
    diacetone alcohol 678.58
    N,N-dimethylaniline 317.65
    acrylonitrile 863.7
    aniline 723.03
    1,3-propanediol 890.41
    bromobenzene 985.35
    dibromomethane 1848.68
    1,1,2,2-tetrachloroethane 2483.91
    2-methyl-cyclohexyl acetate 405.92
    tetrabutyl urea 281.8
    diisobutyl methanol 288.56
    2-phenylethanol 528.81
    styrene 382.76
    dioctyl adipate 364.0
    dimethyl sulfate 313.9
    ethyl butyrate 471.99
    methyl lactate 316.26
    butyl lactate 394.58
    diethyl carbonate 326.38
    propanediol butyl ether 573.82
    triethyl orthoformate 353.91
    p-tert-butyltoluene 183.02
    methyl 4-tert-butylbenzoate 398.88
    morpholine 2144.91
    tert-butylamine 1159.12
    n-dodecanol 177.39
    dimethoxymethane 720.96
    ethylene carbonate 802.54
    cyrene 374.11
    2-ethoxyethyl acetate 524.08
    2-ethylhexyl acetate 556.37
    1,2,4-trichlorobenzene 823.51
    4-methylpyridine 1333.84
    dibutyl ether 490.33
    2,6-dimethyl-4-heptanol 288.56
    DEF 795.63
    dimethyl isosorbide 740.94
    tetrachloroethylene 1557.75
    eugenol 405.69
    triacetin 518.39
    span 80 564.54
    1,4-butanediol 317.7
    1,1-dichloroethane 1850.2
    2-methyl-1-pentanol 609.13
    methyl formate 496.65
    2-methyl-1-butanol 884.39
    n-decane 72.33
    butyronitrile 1146.98
    3,7-dimethyl-1-octanol 398.72
    1-chlorooctane 273.47
    1-chlorotetradecane 112.25
    n-nonane 72.61
    undecane 50.89
    tert-butylcyclohexane 127.32
    cyclooctane 135.38
    cyclopentanol 1374.67
    tetrahydropyran 2275.29
    tert-amyl methyl ether 615.0
    2,5,8-trioxanonane 756.82
    1-hexene 766.07
    2-isopropoxyethanol 450.58
    2,2,2-trifluoroethanol 388.56
    methyl butyrate 603.32

    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