3-Cyclohexylpropyl isovalerate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93857-92-2

    Molecular formula
    C14H26O2

    SMILES
    CC(C)CC(=O)OCCCC1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.57%
    Apple 46.75%
    Sweet 46.46%
    Green 46.15%
    Pineapple 40.04%
    Herbal 34.22%
    Peach 31.85%
    Waxy 31.19%
    Oily 30.87%
    Apricot 29.69%

     

    Flavor
    Fruity 64.89%
    Green 51.16%
    Waxy 42.15%
    Tropical 40.82%
    Rose 36.49%
    Fruit 35.89%
    Sweet 33.85%
    Pineapple 33.53%
    Oily 33.08%
    Apple 31.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.48 (neutral)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    287°C

    Flash point

    • 122.68 ˚C est.

  • Synonyms

    • 3-Cyclohexylpropyl isovalerate
    • 93857-92-2
    • 3-cyclohexylpropyl 3-methylbutanoate
    • EINECS 299-226-2
    • CS5VPQ5UQ8
    • DTXSID00239797
    • UBRSOJDKMYAROK-UHFFFAOYSA-N
    • NS00039695
    • Butanoic acid,3-methyl-,3-cyclohexylpropyl ester
    • Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester
    • 93857-92-2

  • Applications

    3-Cyclohexylpropyl isovalerate is primarily used as a fragrance ingredient in perfumery and cosmetic formulations, contributing woody and resinous notes from its cyclohexylpropyl and isovalerate moieties. It is commonly evaluated as an odorant and, in appropriate formulations, as a fixative to help extend scent longevity in personal care products and household fragrances. It may serve as a solvent or processing aid in industrial formulations such as coatings, inks, or adhesive systems where an ester with moderate polarity is desired. The compound can also be encountered as a scented additive in consumer products (air fresheners, detergents). Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4264.59
    methanol 3789.61
    isopropanol 4707.74
    water 0.13
    ethyl acetate 4639.42
    n-propanol 3599.37
    acetone 8073.25
    n-butanol 3603.65
    acetonitrile 3776.16
    DMF 3760.99
    toluene 1626.68
    isobutanol 3072.8
    1,4-dioxane 4449.72
    methyl acetate 3008.5
    THF 7134.16
    2-butanone 4842.27
    n-pentanol 1924.38
    sec-butanol 3446.08
    n-hexane 801.8
    ethylene glycol 219.73
    NMP 2717.15
    cyclohexane 1341.06
    DMSO 4417.72
    n-butyl acetate 3325.54
    n-octanol 822.77
    chloroform 9343.71
    n-propyl acetate 2744.61
    acetic acid 2648.05
    dichloromethane 7740.17
    cyclohexanone 7110.63
    propylene glycol 615.65
    isopropyl acetate 3044.91
    DMAc 2116.53
    2-ethoxyethanol 1741.01
    isopentanol 3169.48
    n-heptane 257.36
    ethyl formate 2102.93
    1,2-dichloroethane 5714.71
    n-hexanol 1940.9
    2-methoxyethanol 3124.6
    isobutyl acetate 1538.47
    tetrachloromethane 1314.94
    n-pentyl acetate 1811.3
    transcutol 6597.58
    n-heptanol 776.4
    ethylbenzene 804.21
    MIBK 2488.12
    2-propoxyethanol 2402.16
    tert-butanol 4477.57
    MTBE 4612.66
    2-butoxyethanol 1357.88
    propionic acid 2263.64
    o-xylene 910.71
    formic acid 430.48
    diethyl ether 4639.07
    m-xylene 1059.35
    p-xylene 1086.58
    chlorobenzene 2714.68
    dimethyl carbonate 651.84
    n-octane 109.97
    formamide 732.68
    cyclopentanone 5790.8
    2-pentanone 4615.76
    anisole 1375.02
    cyclopentyl methyl ether 3772.28
    gamma-butyrolactone 5154.13
    1-methoxy-2-propanol 2928.74
    pyridine 3848.65
    3-pentanone 2562.74
    furfural 3317.26
    n-dodecane 68.19
    diethylene glycol 1133.83
    diisopropyl ether 1337.99
    tert-amyl alcohol 3236.38
    acetylacetone 3488.46
    n-hexadecane 83.88
    acetophenone 1236.31
    methyl propionate 2449.98
    isopentyl acetate 2654.42
    trichloroethylene 8824.83
    n-nonanol 662.26
    cyclohexanol 3584.79
    benzyl alcohol 1043.17
    2-ethylhexanol 1123.33
    isooctanol 692.45
    dipropyl ether 1700.82
    1,2-dichlorobenzene 2174.44
    ethyl lactate 701.88
    propylene carbonate 2716.63
    n-methylformamide 1867.04
    2-pentanol 2744.75
    n-pentane 538.5
    1-propoxy-2-propanol 2063.87
    1-methoxy-2-propyl acetate 2196.73
    2-(2-methoxypropoxy) propanol 1104.86
    mesitylene 719.16
    ε-caprolactone 4591.44
    p-cymene 455.81
    epichlorohydrin 5807.48
    1,1,1-trichloroethane 5795.21
    2-aminoethanol 841.03
    morpholine-4-carbaldehyde 2656.44
    sulfolane 5049.32
    2,2,4-trimethylpentane 211.83
    2-methyltetrahydrofuran 5775.96
    n-hexyl acetate 2265.28
    isooctane 189.11
    2-(2-butoxyethoxy)ethanol 1758.4
    sec-butyl acetate 1843.49
    tert-butyl acetate 2863.95
    decalin 372.18
    glycerin 633.87
    diglyme 3209.75
    acrylic acid 1348.44
    isopropyl myristate 688.89
    n-butyric acid 4630.4
    acetyl acetate 2161.34
    di(2-ethylhexyl) phthalate 531.06
    ethyl propionate 2029.37
    nitromethane 4110.81
    1,2-diethoxyethane 2719.44
    benzonitrile 1914.88
    trioctyl phosphate 404.64
    1-bromopropane 3998.59
    gamma-valerolactone 6032.46
    n-decanol 449.33
    triethyl phosphate 534.77
    4-methyl-2-pentanol 1282.62
    propionitrile 3053.47
    vinylene carbonate 2109.28
    1,1,2-trichlorotrifluoroethane 2864.16
    DMS 1238.31
    cumene 524.39
    2-octanol 647.67
    2-hexanone 2815.93
    octyl acetate 849.5
    limonene 866.99
    1,2-dimethoxyethane 3389.33
    ethyl orthosilicate 544.63
    tributyl phosphate 566.33
    diacetone alcohol 2325.69
    N,N-dimethylaniline 777.09
    acrylonitrile 2620.47
    aniline 1894.41
    1,3-propanediol 1713.24
    bromobenzene 2994.56
    dibromomethane 5890.78
    1,1,2,2-tetrachloroethane 7418.97
    2-methyl-cyclohexyl acetate 1146.86
    tetrabutyl urea 662.55
    diisobutyl methanol 663.19
    2-phenylethanol 1084.15
    styrene 1064.94
    dioctyl adipate 919.92
    dimethyl sulfate 944.89
    ethyl butyrate 1812.51
    methyl lactate 855.09
    butyl lactate 1139.73
    diethyl carbonate 970.39
    propanediol butyl ether 1235.65
    triethyl orthoformate 1032.8
    p-tert-butyltoluene 446.81
    methyl 4-tert-butylbenzoate 1019.42
    morpholine 5701.31
    tert-butylamine 2823.37
    n-dodecanol 330.64
    dimethoxymethane 2316.35
    ethylene carbonate 2146.55
    cyrene 793.5
    2-ethoxyethyl acetate 1942.93
    2-ethylhexyl acetate 1900.08
    1,2,4-trichlorobenzene 2349.34
    4-methylpyridine 3808.14
    dibutyl ether 1739.57
    2,6-dimethyl-4-heptanol 663.19
    DEF 3279.99
    dimethyl isosorbide 1731.52
    tetrachloroethylene 4448.96
    eugenol 898.93
    triacetin 1456.12
    span 80 1124.52
    1,4-butanediol 569.28
    1,1-dichloroethane 7306.77
    2-methyl-1-pentanol 1608.89
    methyl formate 1249.36
    2-methyl-1-butanol 2687.82
    n-decane 146.04
    butyronitrile 3902.76
    3,7-dimethyl-1-octanol 919.08
    1-chlorooctane 741.45
    1-chlorotetradecane 239.06
    n-nonane 154.51
    undecane 94.3
    tert-butylcyclohexane 300.48
    cyclooctane 306.71
    cyclopentanol 3241.31
    tetrahydropyran 7186.16
    tert-amyl methyl ether 2370.47
    2,5,8-trioxanonane 1720.83
    1-hexene 2331.32
    2-isopropoxyethanol 1408.65
    2,2,2-trifluoroethanol 686.49
    methyl butyrate 2968.21

    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