Decyl hexanoate

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  • Identifiers

    CAS number
    52363-43-6

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCCCOC(=O)CCCCC

  • Odor profile

    Fragrance
    Fruity 80.44%
    Oily 74.77%
    Fatty 65.08%
    Winey 62.98%
    Cognac 57.49%
    Waxy 55.74%
    Floral 52.13%
    Sweet 48.86%
    Green 46.23%
    Rose 43.31%

     

    Flavor
    Waxy 73.15%
    Fruity 58.9%
    Sweet 54.39%
    Oily 52.78%
    Soapy 51.21%
    Fatty 46.93%
    Floral 42.06%
    Coconut 41.86%
    Creamy 39.59%
    Clean 38.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    6.94 (neutral)

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    311°C

    Flash point

    • 133.73 ˚C est.

  • Synonyms

    • Decyl hexanoate
    • Decyl caproate
    • Hexanoic acid, decyl ester
    • 52363-43-6
    • EINECS 257-873-8
    • DTXSID4068745
    • WE(10:0/6:0)
    • 1-Decyl hexanoate
    • Decyl hexanoate #
    • hexanoic acid decyl ester
    • G5YK43EE46
    • SCHEMBL7771323
    • DTXCID1041180
    • CHEBI:179736
    • LMFA07010440
    • NS00032490
    • 257-873-8

  • Applications

    Decyl hexanoate (CAS 52363-43-6) is commonly used as a fragrance ingredient in perfumery and cosmetics, helping to create and stabilize aroma profiles and may act as a scent fixative in fragrance formulations. It is also used in personal care products as a fragrance component and can function as an emollient in various formulas. In household and cleaning products, the ester is used as a fragrance/aroma additive to improve the overall scent of products. In the food and beverage sector, decyl hexanoate may be considered as a flavor/aroma ingredient for certain applications. Additionally, it can serve as a solvent or processing aid in fragrance manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3854.62
    methanol 3242.27
    isopropanol 4514.76
    water 0.05
    ethyl acetate 8540.81
    n-propanol 3974.47
    acetone 9728.44
    n-butanol 4054.15
    acetonitrile 3772.96
    DMF 6191.24
    toluene 2709.36
    isobutanol 3591.11
    1,4-dioxane 6349.99
    methyl acetate 4628.4
    THF 10411.05
    2-butanone 7457.46
    n-pentanol 2551.66
    sec-butanol 3994.56
    n-hexane 1718.98
    ethylene glycol 122.04
    NMP 6029.19
    cyclohexane 3761.13
    DMSO 6470.22
    n-butyl acetate 7118.91
    n-octanol 1352.25
    chloroform 9840.18
    n-propyl acetate 6841.71
    acetic acid 2332.76
    dichloromethane 10695.51
    cyclohexanone 13647.62
    propylene glycol 377.57
    isopropyl acetate 6209.75
    DMAc 5126.68
    2-ethoxyethanol 2719.79
    isopentanol 4147.46
    n-heptane 879.9
    ethyl formate 3095.2
    1,2-dichloroethane 9018.69
    n-hexanol 2265.77
    2-methoxyethanol 3863.99
    isobutyl acetate 3670.39
    tetrachloromethane 2105.71
    n-pentyl acetate 5048.04
    transcutol 9302.02
    n-heptanol 1273.44
    ethylbenzene 1570.15
    MIBK 4887.26
    2-propoxyethanol 3091.49
    tert-butanol 5378.48
    MTBE 7801.78
    2-butoxyethanol 2371.97
    propionic acid 2549.42
    o-xylene 1715.91
    formic acid 295.21
    diethyl ether 8566.45
    m-xylene 1748.57
    p-xylene 2310.44
    chlorobenzene 3796.59
    dimethyl carbonate 947.4
    n-octane 313.75
    formamide 704.24
    cyclopentanone 10120.64
    2-pentanone 8437.17
    anisole 2464.3
    cyclopentyl methyl ether 7107.19
    gamma-butyrolactone 8000.53
    1-methoxy-2-propanol 3621.38
    pyridine 7417.98
    3-pentanone 4986.53
    furfural 5038.25
    n-dodecane 141.89
    diethylene glycol 1071.15
    diisopropyl ether 2626.28
    tert-amyl alcohol 4489.83
    acetylacetone 6226.61
    n-hexadecane 178.93
    acetophenone 2595.15
    methyl propionate 4343.63
    isopentyl acetate 5947.2
    trichloroethylene 12306.83
    n-nonanol 1187.59
    cyclohexanol 5538.16
    benzyl alcohol 1588.57
    2-ethylhexanol 2108.16
    isooctanol 1247.14
    dipropyl ether 4439.83
    1,2-dichlorobenzene 3405.04
    ethyl lactate 1308.13
    propylene carbonate 4416.95
    n-methylformamide 2616.75
    2-pentanol 3570.53
    n-pentane 1111.06
    1-propoxy-2-propanol 3414.43
    1-methoxy-2-propyl acetate 4138.19
    2-(2-methoxypropoxy) propanol 1592.08
    mesitylene 1182.4
    ε-caprolactone 9345.28
    p-cymene 994.93
    epichlorohydrin 8557.39
    1,1,1-trichloroethane 8598.42
    2-aminoethanol 622.01
    morpholine-4-carbaldehyde 5153.42
    sulfolane 7906.61
    2,2,4-trimethylpentane 424.84
    2-methyltetrahydrofuran 10460.44
    n-hexyl acetate 5050.21
    isooctane 333.61
    2-(2-butoxyethoxy)ethanol 2528.26
    sec-butyl acetate 4815.22
    tert-butyl acetate 5875.98
    decalin 907.55
    glycerin 426.11
    diglyme 5611.48
    acrylic acid 1296.6
    isopropyl myristate 1394.67
    n-butyric acid 6430.94
    acetyl acetate 3479.78
    di(2-ethylhexyl) phthalate 858.22
    ethyl propionate 5330.64
    nitromethane 5262.39
    1,2-diethoxyethane 5902.4
    benzonitrile 3048.32
    trioctyl phosphate 713.41
    1-bromopropane 7172.02
    gamma-valerolactone 10483.97
    n-decanol 734.44
    triethyl phosphate 1315.96
    4-methyl-2-pentanol 1889.34
    propionitrile 3972.26
    vinylene carbonate 3295.62
    1,1,2-trichlorotrifluoroethane 4030.75
    DMS 2265.65
    cumene 1002.37
    2-octanol 1214.03
    2-hexanone 5541.5
    octyl acetate 1647.52
    limonene 2146.11
    1,2-dimethoxyethane 6833.96
    ethyl orthosilicate 1375.81
    tributyl phosphate 1056.06
    diacetone alcohol 3975.06
    N,N-dimethylaniline 1627.07
    acrylonitrile 3410.89
    aniline 2536.26
    1,3-propanediol 1587.35
    bromobenzene 4653.48
    dibromomethane 8154.43
    1,1,2,2-tetrachloroethane 10877.53
    2-methyl-cyclohexyl acetate 2667.82
    tetrabutyl urea 1437.48
    diisobutyl methanol 1339.38
    2-phenylethanol 1587.67
    styrene 2201.43
    dioctyl adipate 1866.04
    dimethyl sulfate 1468.92
    ethyl butyrate 5225.58
    methyl lactate 1090.67
    butyl lactate 2405.41
    diethyl carbonate 2324.01
    propanediol butyl ether 1637.28
    triethyl orthoformate 2833.44
    p-tert-butyltoluene 910.24
    methyl 4-tert-butylbenzoate 1990.71
    morpholine 9624.27
    tert-butylamine 3656.24
    n-dodecanol 518.58
    dimethoxymethane 3769.93
    ethylene carbonate 3650.77
    cyrene 1241.23
    2-ethoxyethyl acetate 4240.78
    2-ethylhexyl acetate 4634.5
    1,2,4-trichlorobenzene 3567.49
    4-methylpyridine 7218.78
    dibutyl ether 4640.91
    2,6-dimethyl-4-heptanol 1339.38
    DEF 8024.0
    dimethyl isosorbide 2892.97
    tetrachloroethylene 6804.98
    eugenol 1534.55
    triacetin 2955.9
    span 80 1728.91
    1,4-butanediol 541.58
    1,1-dichloroethane 9219.65
    2-methyl-1-pentanol 2423.47
    methyl formate 1443.7
    2-methyl-1-butanol 3506.56
    n-decane 359.19
    butyronitrile 5342.59
    3,7-dimethyl-1-octanol 1525.1
    1-chlorooctane 1633.89
    1-chlorotetradecane 446.8
    n-nonane 393.11
    undecane 204.57
    tert-butylcyclohexane 669.33
    cyclooctane 774.04
    cyclopentanol 4721.74
    tetrahydropyran 13538.88
    tert-amyl methyl ether 4782.75
    2,5,8-trioxanonane 2768.81
    1-hexene 4254.44
    2-isopropoxyethanol 2390.8
    2,2,2-trifluoroethanol 625.34
    methyl butyrate 7788.76

    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