Decyl benzoate

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  • Identifiers

    CAS number
    36685-97-9

    Molecular formula
    C17H26O2

    SMILES
    CCCCCCCCCCOC(=O)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Balsamic 61.29%
    Floral 54.14%
    Oily 50.58%
    Waxy 50.3%
    Fatty 48.33%
    Sweet 46.41%
    Herbal 40.1%
    Fruity 38.5%
    Rose 36.55%
    Fresh 33.84%

     

    Flavor
    Waxy 54.64%
    Fruity 51.18%
    Balsam 48.36%
    Oily 43.26%
    Green 32.28%
    Floral 31.92%
    Fatty 31.15%
    Jasmin 28.62%
    Herbal 28.56%
    Mild 28.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    6.66 (neutral)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 153.95 ˚C est.

  • Synonyms

    • Decyl benzoate
    • 36685-97-9
    • Benzoic acid, decyl ester
    • n-decyl benzoate
    • NSC-309829
    • Benzoic acid decyl ester
    • EINECS 253-157-4
    • Decyl alcohol, benzoate
    • starbld0039347
    • AI3-08512
    • V3CDC8WE5M
    • SCHEMBL1037965
    • DTXSID40190131
    • NSC309829
    • NSC 309829
    • AS-76938
    • NS00030078
    • D93456

  • Applications

    Decyl benzoate (CAS 36685-97-9) is commonly used in perfumery and cosmetics as a fragrance ingredient and a non-polar solvent/emollient. In cosmetics and personal care formulations, it provides a skin-conditioning emollient base and serves as a carrier for fragrance oils and active ingredients. In perfumery, it acts as a carrier and can contribute to fragrance longevity as a mild fixative. It is also employed in household products as a fragrance solvent/vehicle, and may be used as an intermediate in the synthesis of other benzoate esters or related formulations in industrial manufacturing. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6192.2
    methanol 5772.88
    isopropanol 4687.77
    water 0.13
    ethyl acetate 8470.12
    n-propanol 5350.38
    acetone 13303.68
    n-butanol 4242.69
    acetonitrile 8191.81
    DMF 9513.22
    toluene 2866.59
    isobutanol 3651.69
    1,4-dioxane 5735.96
    methyl acetate 5763.56
    THF 7202.12
    2-butanone 8783.24
    n-pentanol 2297.15
    sec-butanol 3817.66
    n-hexane 556.55
    ethylene glycol 182.4
    NMP 5495.61
    cyclohexane 1511.21
    DMSO 7402.05
    n-butyl acetate 4708.41
    n-octanol 811.19
    chloroform 11401.01
    n-propyl acetate 5296.42
    acetic acid 2681.39
    dichloromethane 15669.01
    cyclohexanone 12049.18
    propylene glycol 454.83
    isopropyl acetate 4545.0
    DMAc 5601.93
    2-ethoxyethanol 2508.64
    isopentanol 3134.47
    n-heptane 227.33
    ethyl formate 3721.5
    1,2-dichloroethane 13539.71
    n-hexanol 1798.62
    2-methoxyethanol 4081.36
    isobutyl acetate 2474.02
    tetrachloromethane 1602.59
    n-pentyl acetate 2997.0
    transcutol 7668.0
    n-heptanol 804.39
    ethylbenzene 1249.3
    MIBK 3261.31
    2-propoxyethanol 2497.63
    tert-butanol 3718.38
    MTBE 5721.75
    2-butoxyethanol 1615.16
    propionic acid 2784.69
    o-xylene 1318.52
    formic acid 425.13
    diethyl ether 7911.76
    m-xylene 1335.75
    p-xylene 1593.11
    chlorobenzene 4425.79
    dimethyl carbonate 1382.04
    n-octane 107.25
    formamide 1346.43
    cyclopentanone 8966.09
    2-pentanone 8269.76
    anisole 2449.46
    cyclopentyl methyl ether 4660.08
    gamma-butyrolactone 7709.88
    1-methoxy-2-propanol 3128.25
    pyridine 8231.92
    3-pentanone 5023.0
    furfural 4688.16
    n-dodecane 66.06
    diethylene glycol 994.7
    diisopropyl ether 1546.25
    tert-amyl alcohol 2930.25
    acetylacetone 5455.93
    n-hexadecane 82.29
    acetophenone 2302.68
    methyl propionate 5003.93
    isopentyl acetate 3544.46
    trichloroethylene 16332.83
    n-nonanol 688.13
    cyclohexanol 3888.55
    benzyl alcohol 1511.97
    2-ethylhexanol 1134.59
    isooctanol 730.9
    dipropyl ether 2306.4
    1,2-dichlorobenzene 3419.02
    ethyl lactate 1016.43
    propylene carbonate 3912.67
    n-methylformamide 4524.29
    2-pentanol 2844.85
    n-pentane 458.47
    1-propoxy-2-propanol 2098.27
    1-methoxy-2-propyl acetate 2681.24
    2-(2-methoxypropoxy) propanol 1025.12
    mesitylene 783.16
    ε-caprolactone 7335.08
    p-cymene 518.13
    epichlorohydrin 10321.57
    1,1,1-trichloroethane 8987.91
    2-aminoethanol 920.42
    morpholine-4-carbaldehyde 4289.82
    sulfolane 7029.14
    2,2,4-trimethylpentane 186.35
    2-methyltetrahydrofuran 7198.34
    n-hexyl acetate 2922.88
    isooctane 136.39
    2-(2-butoxyethoxy)ethanol 1721.73
    sec-butyl acetate 2941.38
    tert-butyl acetate 3614.82
    decalin 350.36
    glycerin 433.55
    diglyme 4067.25
    acrylic acid 1667.23
    isopropyl myristate 764.91
    n-butyric acid 5630.62
    acetyl acetate 3148.63
    di(2-ethylhexyl) phthalate 500.53
    ethyl propionate 4121.1
    nitromethane 7410.22
    1,2-diethoxyethane 4210.13
    benzonitrile 2967.63
    trioctyl phosphate 398.35
    1-bromopropane 7838.94
    gamma-valerolactone 9110.04
    n-decanol 441.67
    triethyl phosphate 755.57
    4-methyl-2-pentanol 1116.02
    propionitrile 6102.4
    vinylene carbonate 3355.31
    1,1,2-trichlorotrifluoroethane 3816.1
    DMS 1773.14
    cumene 646.13
    2-octanol 660.28
    2-hexanone 4580.52
    octyl acetate 1001.69
    limonene 974.34
    1,2-dimethoxyethane 5567.92
    ethyl orthosilicate 751.25
    tributyl phosphate 593.24
    diacetone alcohol 2512.69
    N,N-dimethylaniline 1232.63
    acrylonitrile 5799.11
    aniline 2792.15
    1,3-propanediol 1715.28
    bromobenzene 4860.3
    dibromomethane 10185.58
    1,1,2,2-tetrachloroethane 12686.47
    2-methyl-cyclohexyl acetate 1471.0
    tetrabutyl urea 845.48
    diisobutyl methanol 593.58
    2-phenylethanol 1211.93
    styrene 1985.71
    dioctyl adipate 1005.58
    dimethyl sulfate 1822.99
    ethyl butyrate 2945.72
    methyl lactate 1199.22
    butyl lactate 1487.7
    diethyl carbonate 1556.18
    propanediol butyl ether 1115.44
    triethyl orthoformate 1440.86
    p-tert-butyltoluene 446.47
    methyl 4-tert-butylbenzoate 1252.13
    morpholine 8475.71
    tert-butylamine 2407.97
    n-dodecanol 305.76
    dimethoxymethane 4758.07
    ethylene carbonate 3326.03
    cyrene 907.06
    2-ethoxyethyl acetate 3045.44
    2-ethylhexyl acetate 2597.23
    1,2,4-trichlorobenzene 3464.72
    4-methylpyridine 7670.7
    dibutyl ether 2259.62
    2,6-dimethyl-4-heptanol 593.58
    DEF 7889.7
    dimethyl isosorbide 1793.94
    tetrachloroethylene 7188.44
    eugenol 1139.93
    triacetin 1819.8
    span 80 957.77
    1,4-butanediol 600.23
    1,1-dichloroethane 12335.43
    2-methyl-1-pentanol 1796.38
    methyl formate 2581.08
    2-methyl-1-butanol 3201.03
    n-decane 136.07
    butyronitrile 6774.9
    3,7-dimethyl-1-octanol 830.41
    1-chlorooctane 905.43
    1-chlorotetradecane 240.0
    n-nonane 142.03
    undecane 88.38
    tert-butylcyclohexane 261.74
    cyclooctane 268.66
    cyclopentanol 3255.9
    tetrahydropyran 10457.33
    tert-amyl methyl ether 3043.6
    2,5,8-trioxanonane 1952.49
    1-hexene 2612.85
    2-isopropoxyethanol 1744.74
    2,2,2-trifluoroethanol 727.61
    methyl butyrate 6378.85

    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