Nonyl benzoate

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  • Identifiers

    CAS number
    5451-95-6

    Molecular formula
    C16H24O2

    SMILES
    CCCCCCCCCOC(=O)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Balsamic 66.53%
    Floral 56.96%
    Oily 49.58%
    Sweet 47.98%
    Herbal 46.93%
    Waxy 45.06%
    Fatty 43.21%
    Fruity 41.16%
    Green 37.34%
    Fresh 36.75%

     

    Flavor
    Fruity 53.52%
    Waxy 53.51%
    Balsam 52.97%
    Oily 41.86%
    Green 39.46%
    Floral 35.44%
    Herbal 31.43%
    Fresh 30.6%
    Jasmin 30.35%
    Fatty 28.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    6.66 (neutral)

    Molecular weight
    248.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    329°C

    Flash point

    • 147.73 ˚C est.

  • Synonyms

    • Nonyl benzoate
    • 5451-95-6
    • Benzoic acid, nonyl ester
    • N6B3TKN7YC
    • NSC-21881
    • Benzoic acid nonyl ester
    • n-nonyl benzoate
    • EINECS 226-691-0
    • NONYL-BENZOATE
    • UNII-N6B3TKN7YC
    • SCHEMBL634555
    • CHEMBL2271361
    • DTXSID20202928
    • NSC21881
    • NSC 21881
    • NS00033111
    • Q63395485

  • Applications

    Nonyl benzoate (CAS 5451-95-6) is the benzoate ester of nonyl alcohol. In perfumery, it is used as a fragrance fixative and carrier solvent, helping extend and stabilize fragrance notes in fragrances and fragrance-containing products. In cosmetics and personal care, it serves as a solvent base and carrier for oil-soluble ingredients, aiding dispersion and solubilization in formulations. In coatings, inks, and polymer systems, it can function as a solvent or carrier to improve solubility of polymers and modulate evaporation characteristics. It can also act as a plasticizer or processing aid for certain polymers and coatings, depending on the formulation. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8003.93
    methanol 7929.25
    isopropanol 5607.26
    water 0.12
    ethyl acetate 10041.96
    n-propanol 6560.48
    acetone 15612.72
    n-butanol 5154.37
    acetonitrile 10811.27
    DMF 11127.09
    toluene 3336.1
    isobutanol 4477.1
    1,4-dioxane 6558.71
    methyl acetate 6722.22
    THF 7461.67
    2-butanone 10139.92
    n-pentanol 2757.41
    sec-butanol 4504.06
    n-hexane 597.08
    ethylene glycol 249.3
    NMP 5813.28
    cyclohexane 1422.63
    DMSO 8905.41
    n-butyl acetate 5346.01
    n-octanol 898.95
    chloroform 12675.49
    n-propyl acetate 5718.72
    acetic acid 3271.68
    dichloromethane 17469.03
    cyclohexanone 12936.07
    propylene glycol 581.62
    isopropyl acetate 4994.2
    DMAc 6045.91
    2-ethoxyethanol 2928.94
    isopentanol 3703.25
    n-heptane 221.46
    ethyl formate 4357.3
    1,2-dichloroethane 15216.02
    n-hexanol 2229.29
    2-methoxyethanol 5030.44
    isobutyl acetate 2587.39
    tetrachloromethane 1518.5
    n-pentyl acetate 2996.89
    transcutol 8979.06
    n-heptanol 881.04
    ethylbenzene 1413.64
    MIBK 3475.98
    2-propoxyethanol 2982.12
    tert-butanol 4354.28
    MTBE 6399.23
    2-butoxyethanol 1750.36
    propionic acid 3279.67
    o-xylene 1439.67
    formic acid 542.7
    diethyl ether 9150.1
    m-xylene 1504.95
    p-xylene 1711.52
    chlorobenzene 4944.77
    dimethyl carbonate 1578.82
    n-octane 103.29
    formamide 1695.98
    cyclopentanone 9438.31
    2-pentanone 9328.01
    anisole 2742.93
    cyclopentyl methyl ether 4987.97
    gamma-butyrolactone 8161.87
    1-methoxy-2-propanol 3704.71
    pyridine 9525.12
    3-pentanone 5609.52
    furfural 5228.51
    n-dodecane 68.47
    diethylene glycol 1230.08
    diisopropyl ether 1667.66
    tert-amyl alcohol 3405.98
    acetylacetone 6060.66
    n-hexadecane 85.47
    acetophenone 2569.38
    methyl propionate 5777.79
    isopentyl acetate 3872.53
    trichloroethylene 18617.97
    n-nonanol 754.3
    cyclohexanol 4351.42
    benzyl alcohol 1746.32
    2-ethylhexanol 1289.85
    isooctanol 782.71
    dipropyl ether 2431.37
    1,2-dichlorobenzene 3672.36
    ethyl lactate 1097.69
    propylene carbonate 4144.58
    n-methylformamide 5424.98
    2-pentanol 3385.57
    n-pentane 484.51
    1-propoxy-2-propanol 2370.02
    1-methoxy-2-propyl acetate 2936.29
    2-(2-methoxypropoxy) propanol 1132.48
    mesitylene 838.95
    ε-caprolactone 7931.76
    p-cymene 544.78
    epichlorohydrin 11328.14
    1,1,1-trichloroethane 9471.95
    2-aminoethanol 1207.32
    morpholine-4-carbaldehyde 4712.14
    sulfolane 7344.75
    2,2,4-trimethylpentane 192.31
    2-methyltetrahydrofuran 7481.5
    n-hexyl acetate 3063.59
    isooctane 145.56
    2-(2-butoxyethoxy)ethanol 1921.63
    sec-butyl acetate 3085.37
    tert-butyl acetate 3795.19
    decalin 357.02
    glycerin 529.94
    diglyme 4413.69
    acrylic acid 1984.59
    isopropyl myristate 812.96
    n-butyric acid 6619.5
    acetyl acetate 3519.63
    di(2-ethylhexyl) phthalate 532.12
    ethyl propionate 4443.69
    nitromethane 8859.14
    1,2-diethoxyethane 4736.27
    benzonitrile 3459.2
    trioctyl phosphate 421.1
    1-bromopropane 8694.08
    gamma-valerolactone 9748.88
    n-decanol 490.02
    triethyl phosphate 769.3
    4-methyl-2-pentanol 1242.09
    propionitrile 7612.71
    vinylene carbonate 3619.6
    1,1,2-trichlorotrifluoroethane 4187.01
    DMS 1907.16
    cumene 698.41
    2-octanol 697.78
    2-hexanone 5046.87
    octyl acetate 1066.89
    limonene 1005.27
    1,2-dimethoxyethane 6041.85
    ethyl orthosilicate 755.59
    tributyl phosphate 631.91
    diacetone alcohol 2677.07
    N,N-dimethylaniline 1339.63
    acrylonitrile 7433.3
    aniline 3267.88
    1,3-propanediol 2136.05
    bromobenzene 5386.06
    dibromomethane 11230.09
    1,1,2,2-tetrachloroethane 13970.82
    2-methyl-cyclohexyl acetate 1495.33
    tetrabutyl urea 886.47
    diisobutyl methanol 643.49
    2-phenylethanol 1413.12
    styrene 2325.92
    dioctyl adipate 1038.51
    dimethyl sulfate 1943.73
    ethyl butyrate 3059.81
    methyl lactate 1350.14
    butyl lactate 1545.66
    diethyl carbonate 1640.1
    propanediol butyl ether 1249.35
    triethyl orthoformate 1464.29
    p-tert-butyltoluene 472.25
    methyl 4-tert-butylbenzoate 1260.29
    morpholine 9816.32
    tert-butylamine 2742.2
    n-dodecanol 337.5
    dimethoxymethane 5591.08
    ethylene carbonate 3525.7
    cyrene 952.99
    2-ethoxyethyl acetate 3221.6
    2-ethylhexyl acetate 2802.27
    1,2,4-trichlorobenzene 3771.58
    4-methylpyridine 8998.21
    dibutyl ether 2373.54
    2,6-dimethyl-4-heptanol 643.49
    DEF 8801.99
    dimethyl isosorbide 1876.81
    tetrachloroethylene 7826.15
    eugenol 1222.22
    triacetin 1896.91
    span 80 1028.31
    1,4-butanediol 718.18
    1,1-dichloroethane 13716.24
    2-methyl-1-pentanol 2136.8
    methyl formate 3110.33
    2-methyl-1-butanol 3814.98
    n-decane 136.97
    butyronitrile 8321.04
    3,7-dimethyl-1-octanol 924.65
    1-chlorooctane 939.45
    1-chlorotetradecane 255.84
    n-nonane 142.19
    undecane 90.59
    tert-butylcyclohexane 272.71
    cyclooctane 255.31
    cyclopentanol 3533.46
    tetrahydropyran 11502.35
    tert-amyl methyl ether 3356.32
    2,5,8-trioxanonane 2163.45
    1-hexene 3038.52
    2-isopropoxyethanol 1980.95
    2,2,2-trifluoroethanol 802.36
    methyl butyrate 6953.85

    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