3-Cyclohexylpropyl valerate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93857-91-1

    Molecular formula
    C14H26O2

    SMILES
    CCCCC(=O)OCCCC1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 80.44%
    Green 47.44%
    Sweet 44.68%
    Pineapple 43.11%
    Apple 37.41%
    Oily 36.74%
    Peach 34.17%
    Winey 32.48%
    Waxy 31.83%
    Fatty 29.94%

     

    Flavor
    Fruity 76.33%
    Green 53.86%
    Waxy 49.24%
    Pineapple 41.58%
    Fruit 41.22%
    Tropical 40.27%
    Apple 36.76%
    Sweet 33.99%
    Oily 33.39%
    Wine 32.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.57 (neutral)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 128.15 ˚C est.

  • Synonyms

    • 3-Cyclohexylpropyl valerate
    • 3-cyclohexylpropyl pentanoate
    • EINECS 299-225-7
    • 93857-91-1
    • JTY32EXJ4D
    • SCHEMBL8895589
    • DTXSID40239796
    • ZUSLCRLGEUGVDK-UHFFFAOYSA-N
    • Pentanoic acid, 3-cyclohexylpropyl ester
    • NS00039694
    • 93857-91-1

  • Applications

    3-Cyclohexylpropyl valerate (CAS 93857-91-1) is used primarily in the fragrance and cosmetics industries as a fragrance ingredient and fixative, helping to extend and define the scent in perfumes, personal care formulations, and scented products. It is commonly evaluated as a fragrance component in consumer care items such as lotions, shampoos, and other bath products. The ester may also be incorporated into household products like air fresheners and cleaning agents to impart or preserve aroma. In coatings and inks, it can serve as a fragrance additive to enhance smell in paints, coatings, and printed materials. Additionally, it can act as an intermediate in fragrance synthesis, supporting the construction of complex aroma profiles in industrial formulation workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4302.27
    methanol 4147.81
    isopropanol 4007.57
    water 0.05
    ethyl acetate 6328.35
    n-propanol 3456.69
    acetone 8426.54
    n-butanol 3332.63
    acetonitrile 4561.91
    DMF 4708.08
    toluene 2148.47
    isobutanol 2629.7
    1,4-dioxane 5155.54
    methyl acetate 3538.67
    THF 7255.02
    2-butanone 5466.26
    n-pentanol 1776.96
    sec-butanol 2843.01
    n-hexane 538.75
    ethylene glycol 182.43
    NMP 2751.19
    cyclohexane 1046.39
    DMSO 5652.55
    n-butyl acetate 4033.15
    n-octanol 630.6
    chloroform 9139.93
    n-propyl acetate 3438.55
    acetic acid 2013.57
    dichloromethane 8939.27
    cyclohexanone 7427.44
    propylene glycol 454.03
    isopropyl acetate 3939.14
    DMAc 2746.58
    2-ethoxyethanol 2053.93
    isopentanol 2936.92
    n-heptane 196.38
    ethyl formate 2495.75
    1,2-dichloroethane 7225.04
    n-hexanol 1760.87
    2-methoxyethanol 3570.31
    isobutyl acetate 1876.48
    tetrachloromethane 1232.32
    n-pentyl acetate 2051.89
    transcutol 7852.92
    n-heptanol 654.47
    ethylbenzene 944.6
    MIBK 2683.63
    2-propoxyethanol 2539.79
    tert-butanol 3849.34
    MTBE 5110.78
    2-butoxyethanol 1428.57
    propionic acid 1853.72
    o-xylene 1055.24
    formic acid 354.61
    diethyl ether 5977.05
    m-xylene 1198.57
    p-xylene 1152.56
    chlorobenzene 3006.53
    dimethyl carbonate 750.22
    n-octane 73.92
    formamide 768.04
    cyclopentanone 5870.71
    2-pentanone 5433.5
    anisole 1761.99
    cyclopentyl methyl ether 3900.45
    gamma-butyrolactone 5157.35
    1-methoxy-2-propanol 2924.31
    pyridine 5567.07
    3-pentanone 2940.15
    furfural 3653.85
    n-dodecane 50.11
    diethylene glycol 1177.33
    diisopropyl ether 1332.67
    tert-amyl alcohol 2698.64
    acetylacetone 4244.29
    n-hexadecane 63.04
    acetophenone 1513.76
    methyl propionate 2963.42
    isopentyl acetate 3212.81
    trichloroethylene 10008.23
    n-nonanol 531.45
    cyclohexanol 3069.07
    benzyl alcohol 1230.28
    2-ethylhexanol 1105.57
    isooctanol 598.88
    dipropyl ether 1845.85
    1,2-dichlorobenzene 2461.45
    ethyl lactate 756.28
    propylene carbonate 2639.02
    n-methylformamide 2204.7
    2-pentanol 2343.59
    n-pentane 389.56
    1-propoxy-2-propanol 2184.37
    1-methoxy-2-propyl acetate 2576.77
    2-(2-methoxypropoxy) propanol 1146.42
    mesitylene 748.54
    ε-caprolactone 4923.61
    p-cymene 461.55
    epichlorohydrin 6568.64
    1,1,1-trichloroethane 5871.7
    2-aminoethanol 768.69
    morpholine-4-carbaldehyde 2983.59
    sulfolane 4869.22
    2,2,4-trimethylpentane 156.56
    2-methyltetrahydrofuran 6111.03
    n-hexyl acetate 2206.39
    isooctane 142.02
    2-(2-butoxyethoxy)ethanol 1796.6
    sec-butyl acetate 2238.87
    tert-butyl acetate 3202.58
    decalin 304.47
    glycerin 518.25
    diglyme 3654.08
    acrylic acid 1120.38
    isopropyl myristate 671.4
    n-butyric acid 4323.09
    acetyl acetate 2526.97
    di(2-ethylhexyl) phthalate 506.35
    ethyl propionate 2664.75
    nitromethane 4256.84
    1,2-diethoxyethane 3816.84
    benzonitrile 2260.6
    trioctyl phosphate 372.61
    1-bromopropane 4705.94
    gamma-valerolactone 6484.07
    n-decanol 359.48
    triethyl phosphate 595.87
    4-methyl-2-pentanol 1099.2
    propionitrile 3495.07
    vinylene carbonate 2237.75
    1,1,2-trichlorotrifluoroethane 2860.06
    DMS 1314.77
    cumene 542.88
    2-octanol 527.71
    2-hexanone 3070.54
    octyl acetate 799.69
    limonene 825.84
    1,2-dimethoxyethane 4457.93
    ethyl orthosilicate 605.11
    tributyl phosphate 552.75
    diacetone alcohol 2303.45
    N,N-dimethylaniline 910.64
    acrylonitrile 3294.24
    aniline 2214.21
    1,3-propanediol 1623.43
    bromobenzene 3536.79
    dibromomethane 6443.02
    1,1,2,2-tetrachloroethane 8124.21
    2-methyl-cyclohexyl acetate 1222.56
    tetrabutyl urea 652.24
    diisobutyl methanol 626.28
    2-phenylethanol 1160.38
    styrene 1468.12
    dioctyl adipate 944.54
    dimethyl sulfate 1042.91
    ethyl butyrate 2269.34
    methyl lactate 850.06
    butyl lactate 1152.4
    diethyl carbonate 1200.15
    propanediol butyl ether 1077.72
    triethyl orthoformate 1226.99
    p-tert-butyltoluene 441.12
    methyl 4-tert-butylbenzoate 1058.44
    morpholine 7072.65
    tert-butylamine 2353.53
    n-dodecanol 261.29
    dimethoxymethane 2991.17
    ethylene carbonate 2269.38
    cyrene 773.95
    2-ethoxyethyl acetate 2391.97
    2-ethylhexyl acetate 2248.37
    1,2,4-trichlorobenzene 2519.95
    4-methylpyridine 5009.69
    dibutyl ether 1813.16
    2,6-dimethyl-4-heptanol 626.28
    DEF 4152.6
    dimethyl isosorbide 1820.39
    tetrachloroethylene 4680.23
    eugenol 959.18
    triacetin 1515.17
    span 80 1060.13
    1,4-butanediol 534.74
    1,1-dichloroethane 7621.59
    2-methyl-1-pentanol 1546.75
    methyl formate 1377.26
    2-methyl-1-butanol 2399.17
    n-decane 103.31
    butyronitrile 4240.62
    3,7-dimethyl-1-octanol 785.76
    1-chlorooctane 621.87
    1-chlorotetradecane 193.07
    n-nonane 104.87
    undecane 67.8
    tert-butylcyclohexane 247.58
    cyclooctane 233.5
    cyclopentanol 2691.43
    tetrahydropyran 8429.43
    tert-amyl methyl ether 2503.2
    2,5,8-trioxanonane 1976.97
    1-hexene 2113.87
    2-isopropoxyethanol 1569.46
    2,2,2-trifluoroethanol 523.6
    methyl butyrate 3907.34

    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