Allyl cyclohexanebutyrate

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  • Identifiers

    CAS number
    7493-65-4

    Molecular formula
    C13H22O2

    SMILES
    C=CCOC(=O)CCCC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 92.79%
    Sweet 78.03%
    Pineapple 76.68%
    Peach 53.68%
    Waxy 53.18%
    Fatty 48.76%
    Apricot 46.4%
    Pear 39.72%
    Tropical 39.44%
    Winey 39.19%

     

    Flavor
    Fruity 71.01%
    Green 41.6%
    Waxy 39.64%
    Tropical 38.13%
    Pineapple 37.25%
    Fruit 33.55%
    Oily 30.79%
    Fatty 30.09%
    Apple 28.26%
    Pear 27.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.66 (neutral)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 104.00 °C. @ 1.00 mm Hg

    Flash point

    • 123.23 ˚C est.

    Solubility expt.

    • Insoluble in water, soluble in ethanol, essential oils and flavour chemicals

  • Synonyms

    • ALLYL CYCLOHEXANEBUTYRATE
    • 7493-65-4
    • prop-2-enyl 4-cyclohexylbutanoate
    • 2-Propenyl cyclohexanebutanoate
    • Allyl 4-cyclohexylbutyrate
    • Cyclohexanebutanoic acid, 2-propenyl ester
    • Allyl hexahydrophenylbutyrate
    • allyl cyclohexyl butyrate
    • Cyclohexanebutyric acid, allyl ester
    • FEMA No. 2024
    • 2-Propen-1-yl cyclohexanebutyrate
    • 9JIF47RD7B
    • Cyclohexanebutanoic acid, 2-propen-1-yl ester
    • allyl 4-cyclohexylbutanoate
    • DTXSID8064721
    • ALLYL CYCLOHEXANE BUTYRATE [FHFI]
    • PROP-2-EN-1-YL 4-CYCLOHEXYLBUTANOATE
    • UNII-9JIF47RD7B
    • allyl cyclohexane butyrate
    • allyl 4-cyclohexanebutyrate
    • SCHEMBL873717
    • DTXCID8047719
    • CHEBI:167959
    • SIIAEMSHVLJRHI-UHFFFAOYSA-N
    • LMFA07010743
    • NS00022750
    • Q27272631
    • 616-169-4

  • Applications

    Allyl cyclohexanebutyrate (CAS 7493-65-4) is primarily used in fragrance applications as an odorant and aroma ingredient in perfumery, where it can contribute fruity or creamy notes and may function as a fragrance fixative in formulations. In cosmetics and personal care products, it is used as a fragrance component to impart specific scent profiles. It also appears in household products such as cleaners and air fresheners as a scent additive, enhancing consumer perception of freshness. In the flavor/aroma sector, it may be evaluated for use as a limited aroma contribution in some formulations. Additionally, it can serve as an intermediate in fragrance synthesis during industrial manufacturing processes. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1047.51
    methanol 961.47
    isopropanol 902.52
    water 0.02
    ethyl acetate 2913.19
    n-propanol 849.27
    acetone 3776.4
    n-butanol 851.81
    acetonitrile 1439.93
    DMF 2485.01
    toluene 1165.64
    isobutanol 692.49
    1,4-dioxane 1992.81
    methyl acetate 1636.21
    THF 4270.81
    2-butanone 2763.04
    n-pentanol 564.6
    sec-butanol 805.09
    n-hexane 152.14
    ethylene glycol 65.06
    NMP 2021.56
    cyclohexane 274.73
    DMSO 3844.52
    n-butyl acetate 1633.67
    n-octanol 212.7
    chloroform 4463.17
    n-propyl acetate 1516.55
    acetic acid 775.09
    dichloromethane 4886.32
    cyclohexanone 3611.76
    propylene glycol 174.62
    isopropyl acetate 1760.92
    DMAc 1807.42
    2-ethoxyethanol 857.85
    isopentanol 891.85
    n-heptane 52.03
    ethyl formate 955.78
    1,2-dichloroethane 3755.4
    n-hexanol 552.18
    2-methoxyethanol 1422.89
    isobutyl acetate 830.65
    tetrachloromethane 465.79
    n-pentyl acetate 808.46
    transcutol 5695.57
    n-heptanol 203.25
    ethylbenzene 460.2
    MIBK 1311.56
    2-propoxyethanol 1089.57
    tert-butanol 1093.96
    MTBE 1840.97
    2-butoxyethanol 515.94
    propionic acid 761.34
    o-xylene 553.99
    formic acid 154.82
    diethyl ether 2254.3
    m-xylene 670.48
    p-xylene 535.31
    chlorobenzene 1565.32
    dimethyl carbonate 531.77
    n-octane 19.76
    formamide 376.49
    cyclopentanone 3799.43
    2-pentanone 2540.76
    anisole 979.36
    cyclopentyl methyl ether 2249.3
    gamma-butyrolactone 3522.25
    1-methoxy-2-propanol 1298.48
    pyridine 2448.57
    3-pentanone 1611.38
    furfural 2360.77
    n-dodecane 15.15
    diethylene glycol 546.32
    diisopropyl ether 566.51
    tert-amyl alcohol 997.46
    acetylacetone 2511.69
    n-hexadecane 18.94
    acetophenone 865.69
    methyl propionate 1709.32
    isopentyl acetate 1339.45
    trichloroethylene 6273.97
    n-nonanol 196.94
    cyclohexanol 1015.8
    benzyl alcohol 589.45
    2-ethylhexanol 388.53
    isooctanol 199.82
    dipropyl ether 671.59
    1,2-dichlorobenzene 1361.97
    ethyl lactate 384.33
    propylene carbonate 1662.78
    n-methylformamide 950.8
    2-pentanol 704.75
    n-pentane 106.81
    1-propoxy-2-propanol 894.41
    1-methoxy-2-propyl acetate 1468.31
    2-(2-methoxypropoxy) propanol 674.56
    mesitylene 391.03
    ε-caprolactone 2474.02
    p-cymene 224.97
    epichlorohydrin 4224.95
    1,1,1-trichloroethane 2811.4
    2-aminoethanol 248.08
    morpholine-4-carbaldehyde 1707.04
    sulfolane 3872.58
    2,2,4-trimethylpentane 67.13
    2-methyltetrahydrofuran 3215.97
    n-hexyl acetate 990.53
    isooctane 58.45
    2-(2-butoxyethoxy)ethanol 1017.89
    sec-butyl acetate 1054.46
    tert-butyl acetate 1616.23
    decalin 120.8
    glycerin 233.91
    diglyme 1958.67
    acrylic acid 516.02
    isopropyl myristate 305.76
    n-butyric acid 1543.0
    acetyl acetate 1292.1
    di(2-ethylhexyl) phthalate 263.34
    ethyl propionate 1278.99
    nitromethane 2229.26
    1,2-diethoxyethane 1925.0
    benzonitrile 1060.9
    trioctyl phosphate 173.94
    1-bromopropane 2000.63
    gamma-valerolactone 3347.12
    n-decanol 138.05
    triethyl phosphate 335.89
    4-methyl-2-pentanol 399.95
    propionitrile 1067.28
    vinylene carbonate 1269.83
    1,1,2-trichlorotrifluoroethane 1754.65
    DMS 815.79
    cumene 262.98
    2-octanol 161.53
    2-hexanone 1448.77
    octyl acetate 359.14
    limonene 380.93
    1,2-dimethoxyethane 1716.79
    ethyl orthosilicate 321.94
    tributyl phosphate 290.55
    diacetone alcohol 1253.46
    N,N-dimethylaniline 513.38
    acrylonitrile 1275.05
    aniline 1084.95
    1,3-propanediol 510.9
    bromobenzene 1908.23
    dibromomethane 3182.87
    1,1,2,2-tetrachloroethane 4677.52
    2-methyl-cyclohexyl acetate 627.91
    tetrabutyl urea 336.33
    diisobutyl methanol 255.34
    2-phenylethanol 552.67
    styrene 702.02
    dioctyl adipate 490.22
    dimethyl sulfate 885.3
    ethyl butyrate 996.53
    methyl lactate 500.61
    butyl lactate 534.98
    diethyl carbonate 595.35
    propanediol butyl ether 512.68
    triethyl orthoformate 576.61
    p-tert-butyltoluene 224.24
    methyl 4-tert-butylbenzoate 584.71
    morpholine 2754.64
    tert-butylamine 665.17
    n-dodecanol 101.13
    dimethoxymethane 1687.28
    ethylene carbonate 1131.81
    cyrene 524.65
    2-ethoxyethyl acetate 1256.22
    2-ethylhexyl acetate 986.82
    1,2,4-trichlorobenzene 1540.59
    4-methylpyridine 2392.81
    dibutyl ether 662.59
    2,6-dimethyl-4-heptanol 255.34
    DEF 2152.23
    dimethyl isosorbide 1214.37
    tetrachloroethylene 2484.04
    eugenol 514.36
    triacetin 891.3
    span 80 545.47
    1,4-butanediol 171.93
    1,1-dichloroethane 3531.95
    2-methyl-1-pentanol 591.16
    methyl formate 661.57
    2-methyl-1-butanol 776.69
    n-decane 29.25
    butyronitrile 1324.53
    3,7-dimethyl-1-octanol 325.22
    1-chlorooctane 228.25
    1-chlorotetradecane 72.49
    n-nonane 28.35
    undecane 19.88
    tert-butylcyclohexane 98.83
    cyclooctane 74.01
    cyclopentanol 1018.99
    tetrahydropyran 3091.97
    tert-amyl methyl ether 1163.2
    2,5,8-trioxanonane 1134.67
    1-hexene 733.85
    2-isopropoxyethanol 684.35
    2,2,2-trifluoroethanol 226.95
    methyl butyrate 1721.63

    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