Benzyl nonanoate

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  • Identifiers

    CAS number
    6471-66-5

    Molecular formula
    C16H24O2

    SMILES
    CCCCCCCCC(=O)OCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 62.62%
    Fatty 62.1%
    Oily 59.37%
    Fruity 58.81%
    Waxy 57.09%
    Sweet 55.38%
    Winey 49.67%
    Herbal 47.55%
    Rose 43.17%
    Balsamic 42.92%

     

    Flavor
    Fruity 74.08%
    Waxy 67.61%
    Green 56.86%
    Sweet 51.2%
    Oily 46.36%
    Wine 40.58%
    Floral 40.09%
    Balsam 37.3%
    Creamy 33.84%
    Jasmin 33.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.15 (neutral)

    Molecular weight
    248.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 147.66 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Benzyl nonanoate
    • 6471-66-5
    • Benzyl nonan-1-oate
    • Nonanoic acid, phenylmethyl ester
    • 7MCG3KKQ5N
    • EINECS 229-316-9
    • FEMA NO. 4626
    • DTXSID20215058
    • NONANOIC ACID, BENZYL ESTER
    • BENZYLPELARGONATE
    • Benzyl n-nonanoate
    • UNII-7MCG3KKQ5N
    • Benzyl nonanoate #
    • SCHEMBL3836540
    • DTXCID20137549
    • NS00022623
    • Q27268572

  • Applications

    Benzyl nonanoate (CAS 6471-66-5) is used primarily as a fragrance ingredient and fixative in perfumery, helping to extend and stabilize aroma profiles. It is commonly employed as a solvent/carrier for other aroma compounds in cosmetics, personal care products, and fragrance formulations. In household products, it serves as a fragrance additive in air fresheners and scented cleaners. It may also be used as a fragrance component in coatings, inks, and adhesives, and can appear as a processing aid in industrial scent formulations. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4592.61
    methanol 5636.5
    isopropanol 2558.44
    water 0.11
    ethyl acetate 6530.67
    n-propanol 3202.61
    acetone 7916.57
    n-butanol 2444.24
    acetonitrile 5752.08
    DMF 5606.39
    toluene 1463.69
    isobutanol 1927.31
    1,4-dioxane 4078.51
    methyl acetate 3859.72
    THF 4089.67
    2-butanone 4938.49
    n-pentanol 1497.47
    sec-butanol 1962.13
    n-hexane 185.1
    ethylene glycol 177.94
    NMP 2627.71
    cyclohexane 386.92
    DMSO 6522.08
    n-butyl acetate 3067.8
    n-octanol 370.9
    chloroform 7390.0
    n-propyl acetate 3359.3
    acetic acid 2071.42
    dichloromethane 10037.77
    cyclohexanone 5448.0
    propylene glycol 389.58
    isopropyl acetate 3105.53
    DMAc 3776.89
    2-ethoxyethanol 2006.84
    isopentanol 1877.45
    n-heptane 75.94
    ethyl formate 2338.29
    1,2-dichloroethane 8021.72
    n-hexanol 1109.62
    2-methoxyethanol 3268.4
    isobutyl acetate 1620.14
    tetrachloromethane 690.75
    n-pentyl acetate 1426.22
    transcutol 7053.5
    n-heptanol 411.06
    ethylbenzene 711.8
    MIBK 1952.2
    2-propoxyethanol 1873.92
    tert-butanol 2237.99
    MTBE 3302.97
    2-butoxyethanol 987.63
    propionic acid 1795.75
    o-xylene 712.75
    formic acid 435.4
    diethyl ether 4951.9
    m-xylene 754.2
    p-xylene 864.11
    chlorobenzene 2205.17
    dimethyl carbonate 895.39
    n-octane 33.56
    formamide 1205.27
    cyclopentanone 4409.93
    2-pentanone 4501.13
    anisole 1590.67
    cyclopentyl methyl ether 2389.64
    gamma-butyrolactone 4261.56
    1-methoxy-2-propanol 2312.52
    pyridine 4616.81
    3-pentanone 2730.03
    furfural 2938.07
    n-dodecane 25.58
    diethylene glycol 930.06
    diisopropyl ether 837.14
    tert-amyl alcohol 1687.79
    acetylacetone 3679.88
    n-hexadecane 31.7
    acetophenone 1482.36
    methyl propionate 3335.19
    isopentyl acetate 2371.18
    trichloroethylene 10234.71
    n-nonanol 328.28
    cyclohexanol 1753.39
    benzyl alcohol 1037.36
    2-ethylhexanol 693.85
    isooctanol 368.13
    dipropyl ether 1313.23
    1,2-dichlorobenzene 1876.07
    ethyl lactate 672.71
    propylene carbonate 2265.71
    n-methylformamide 2905.29
    2-pentanol 1474.46
    n-pentane 120.83
    1-propoxy-2-propanol 1395.99
    1-methoxy-2-propyl acetate 2010.85
    2-(2-methoxypropoxy) propanol 841.5
    mesitylene 423.7
    ε-caprolactone 3767.67
    p-cymene 295.17
    epichlorohydrin 6157.79
    1,1,1-trichloroethane 4631.0
    2-aminoethanol 744.2
    morpholine-4-carbaldehyde 2666.58
    sulfolane 4019.31
    2,2,4-trimethylpentane 76.96
    2-methyltetrahydrofuran 3641.13
    n-hexyl acetate 1474.26
    isooctane 59.74
    2-(2-butoxyethoxy)ethanol 1326.35
    sec-butyl acetate 1905.2
    tert-butyl acetate 2275.47
    decalin 153.69
    glycerin 405.61
    diglyme 3049.12
    acrylic acid 1095.45
    isopropyl myristate 442.4
    n-butyric acid 3624.42
    acetyl acetate 2407.37
    di(2-ethylhexyl) phthalate 341.27
    ethyl propionate 2634.91
    nitromethane 5768.68
    1,2-diethoxyethane 3044.56
    benzonitrile 1720.2
    trioctyl phosphate 232.03
    1-bromopropane 3962.77
    gamma-valerolactone 5040.73
    n-decanol 219.74
    triethyl phosphate 527.69
    4-methyl-2-pentanol 638.28
    propionitrile 3185.34
    vinylene carbonate 1976.2
    1,1,2-trichlorotrifluoroethane 2502.39
    DMS 1236.01
    cumene 379.11
    2-octanol 297.11
    2-hexanone 2754.49
    octyl acetate 532.57
    limonene 514.47
    1,2-dimethoxyethane 3954.16
    ethyl orthosilicate 507.06
    tributyl phosphate 377.77
    diacetone alcohol 1662.86
    N,N-dimethylaniline 781.94
    acrylonitrile 3296.16
    aniline 1555.45
    1,3-propanediol 1317.82
    bromobenzene 2503.9
    dibromomethane 6011.32
    1,1,2,2-tetrachloroethane 7670.92
    2-methyl-cyclohexyl acetate 933.16
    tetrabutyl urea 491.32
    diisobutyl methanol 370.27
    2-phenylethanol 841.64
    styrene 1165.9
    dioctyl adipate 646.58
    dimethyl sulfate 1226.51
    ethyl butyrate 1949.73
    methyl lactate 807.86
    butyl lactate 856.11
    diethyl carbonate 1055.09
    propanediol butyl ether 727.88
    triethyl orthoformate 941.85
    p-tert-butyltoluene 265.09
    methyl 4-tert-butylbenzoate 797.05
    morpholine 5747.67
    tert-butylamine 1233.3
    n-dodecanol 156.0
    dimethoxymethane 3315.77
    ethylene carbonate 1941.48
    cyrene 644.07
    2-ethoxyethyl acetate 1919.04
    2-ethylhexyl acetate 1664.71
    1,2,4-trichlorobenzene 1978.53
    4-methylpyridine 4250.36
    dibutyl ether 1149.75
    2,6-dimethyl-4-heptanol 370.27
    DEF 4398.79
    dimethyl isosorbide 1366.49
    tetrachloroethylene 4371.24
    eugenol 764.88
    triacetin 1232.29
    span 80 669.01
    1,4-butanediol 455.99
    1,1-dichloroethane 6551.87
    2-methyl-1-pentanol 1209.59
    methyl formate 1616.33
    2-methyl-1-butanol 1730.28
    n-decane 49.52
    butyronitrile 3448.44
    3,7-dimethyl-1-octanol 451.4
    1-chlorooctane 374.9
    1-chlorotetradecane 110.74
    n-nonane 48.69
    undecane 33.42
    tert-butylcyclohexane 124.9
    cyclooctane 74.07
    cyclopentanol 1395.86
    tetrahydropyran 5711.99
    tert-amyl methyl ether 1725.15
    2,5,8-trioxanonane 1647.73
    1-hexene 1237.21
    2-isopropoxyethanol 1388.04
    2,2,2-trifluoroethanol 521.13
    methyl butyrate 3924.83

    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