Benzeneacetic acid, nonyl ester

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  • Identifiers

    CAS number
    72109-82-1

    Molecular formula
    C17H26O2

    SMILES
    CCCCCCCCCOC(=O)CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 75.68%
    Rose 67.64%
    Waxy 64.97%
    Sweet 64.61%
    Fatty 57.04%
    Honey 56.22%
    Oily 49.05%
    Green 45.7%
    Balsamic 45.15%
    Fruity 42.75%

     

    Flavor
    Waxy 75.06%
    Green 66.42%
    Sweet 65.35%
    Fruity 62.08%
    Rose 46.48%
    Floral 46.16%
    Oily 40.39%
    Honey 35.88%
    Wine 33.65%
    Fatty 32.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.98 (neutral)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 152.27 ˚C est.

  • Synonyms

    • Nonyl phenylacetate
    • nonyl 2-phenylacetate
    • 72109-82-1
    • Benzeneacetic acid, nonyl ester
    • EINECS 276-348-4
    • Phenylacetic acid, nonyl ester
    • Nonyl phenylacetate #
    • SCHEMBL11580968
    • DTXSID20992832
    • NS00062142

  • Applications

    Benzeneacetic acid, nonyl ester (CAS 72109-82-1) is used primarily as a fragrance material and fixative in perfumery, helping to stabilize and extend aroma by modulating the volatility of odor compounds. It is also employed in cosmetics and personal care formulations as a fragrance ingredient. In household and air-care products, it serves as a fragrance component or solvent in certain formulations. In coatings and inks, it can function as a solvent or processing aid and may contribute to fragrance release on the surface. In industrial manufacturing, it may be used as an organic synthesis intermediate to prepare other esters or fragrance-related compounds. In polymers and plastics applications, it may be used as a processing aid or plasticizer in some formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3760.54
    methanol 4176.88
    isopropanol 2385.83
    water 0.1
    ethyl acetate 3721.15
    n-propanol 2706.69
    acetone 6415.95
    n-butanol 2039.38
    acetonitrile 3529.31
    DMF 4768.37
    toluene 962.89
    isobutanol 1692.55
    1,4-dioxane 3286.16
    methyl acetate 2545.38
    THF 4181.63
    2-butanone 3563.77
    n-pentanol 1243.08
    sec-butanol 1682.15
    n-hexane 169.3
    ethylene glycol 163.52
    NMP 2609.34
    cyclohexane 428.27
    DMSO 6042.65
    n-butyl acetate 1980.22
    n-octanol 300.62
    chloroform 5844.91
    n-propyl acetate 2236.59
    acetic acid 1588.85
    dichloromethane 7298.68
    cyclohexanone 4640.02
    propylene glycol 387.7
    isopropyl acetate 2006.64
    DMAc 3033.46
    2-ethoxyethanol 1506.42
    isopentanol 1485.7
    n-heptane 76.36
    ethyl formate 1573.24
    1,2-dichloroethane 6144.75
    n-hexanol 890.71
    2-methoxyethanol 2473.89
    isobutyl acetate 1128.79
    tetrachloromethane 630.69
    n-pentyl acetate 1050.26
    transcutol 4783.61
    n-heptanol 333.2
    ethylbenzene 499.33
    MIBK 1466.02
    2-propoxyethanol 1432.66
    tert-butanol 1891.0
    MTBE 2351.74
    2-butoxyethanol 799.39
    propionic acid 1477.12
    o-xylene 513.12
    formic acid 315.85
    diethyl ether 3411.05
    m-xylene 522.24
    p-xylene 635.9
    chlorobenzene 1642.1
    dimethyl carbonate 662.52
    n-octane 32.49
    formamide 795.0
    cyclopentanone 4019.85
    2-pentanone 3237.84
    anisole 1070.78
    cyclopentyl methyl ether 2039.58
    gamma-butyrolactone 3500.55
    1-methoxy-2-propanol 1829.38
    pyridine 3411.31
    3-pentanone 2021.59
    furfural 2287.26
    n-dodecane 23.61
    diethylene glycol 752.74
    diisopropyl ether 601.46
    tert-amyl alcohol 1333.9
    acetylacetone 2679.89
    n-hexadecane 28.98
    acetophenone 1039.44
    methyl propionate 2279.39
    isopentyl acetate 1589.47
    trichloroethylene 7249.72
    n-nonanol 267.05
    cyclohexanol 1688.19
    benzyl alcohol 769.16
    2-ethylhexanol 534.7
    isooctanol 307.81
    dipropyl ether 1048.96
    1,2-dichlorobenzene 1426.27
    ethyl lactate 539.25
    propylene carbonate 1799.15
    n-methylformamide 2173.63
    2-pentanol 1163.89
    n-pentane 116.58
    1-propoxy-2-propanol 1097.76
    1-methoxy-2-propyl acetate 1397.12
    2-(2-methoxypropoxy) propanol 651.4
    mesitylene 331.14
    ε-caprolactone 2883.01
    p-cymene 227.84
    epichlorohydrin 4847.48
    1,1,1-trichloroethane 3572.85
    2-aminoethanol 654.79
    morpholine-4-carbaldehyde 2228.03
    sulfolane 3857.33
    2,2,4-trimethylpentane 66.21
    2-methyltetrahydrofuran 3251.56
    n-hexyl acetate 1128.78
    isooctane 49.31
    2-(2-butoxyethoxy)ethanol 990.85
    sec-butyl acetate 1232.72
    tert-butyl acetate 1644.28
    decalin 140.3
    glycerin 382.54
    diglyme 2286.65
    acrylic acid 898.75
    isopropyl myristate 349.24
    n-butyric acid 2705.22
    acetyl acetate 1556.89
    di(2-ethylhexyl) phthalate 287.14
    ethyl propionate 1706.67
    nitromethane 4008.7
    1,2-diethoxyethane 1982.39
    benzonitrile 1181.28
    trioctyl phosphate 201.08
    1-bromopropane 3093.83
    gamma-valerolactone 4335.0
    n-decanol 181.99
    triethyl phosphate 417.82
    4-methyl-2-pentanol 492.78
    propionitrile 2137.98
    vinylene carbonate 1534.3
    1,1,2-trichlorotrifluoroethane 2095.4
    DMS 915.34
    cumene 293.25
    2-octanol 234.89
    2-hexanone 2004.85
    octyl acetate 431.84
    limonene 431.73
    1,2-dimethoxyethane 2919.99
    ethyl orthosilicate 401.72
    tributyl phosphate 308.88
    diacetone alcohol 1329.04
    N,N-dimethylaniline 580.67
    acrylonitrile 2159.66
    aniline 1178.37
    1,3-propanediol 1158.62
    bromobenzene 1807.32
    dibromomethane 4547.92
    1,1,2,2-tetrachloroethane 6046.42
    2-methyl-cyclohexyl acetate 731.91
    tetrabutyl urea 419.81
    diisobutyl methanol 285.99
    2-phenylethanol 638.26
    styrene 755.5
    dioctyl adipate 535.28
    dimethyl sulfate 999.76
    ethyl butyrate 1325.47
    methyl lactate 643.55
    butyl lactate 675.81
    diethyl carbonate 750.49
    propanediol butyl ether 599.14
    triethyl orthoformate 699.19
    p-tert-butyltoluene 206.19
    methyl 4-tert-butylbenzoate 651.13
    morpholine 4585.77
    tert-butylamine 1062.67
    n-dodecanol 133.82
    dimethoxymethane 2414.52
    ethylene carbonate 1536.4
    cyrene 550.87
    2-ethoxyethyl acetate 1360.86
    2-ethylhexyl acetate 1154.99
    1,2,4-trichlorobenzene 1528.76
    4-methylpyridine 2861.0
    dibutyl ether 861.96
    2,6-dimethyl-4-heptanol 285.99
    DEF 3019.16
    dimethyl isosorbide 1097.27
    tetrachloroethylene 3501.28
    eugenol 594.76
    triacetin 967.52
    span 80 554.08
    1,4-butanediol 389.48
    1,1-dichloroethane 4823.67
    2-methyl-1-pentanol 912.96
    methyl formate 1234.64
    2-methyl-1-butanol 1401.54
    n-decane 46.24
    butyronitrile 2270.04
    3,7-dimethyl-1-octanol 349.8
    1-chlorooctane 308.02
    1-chlorotetradecane 95.98
    n-nonane 45.35
    undecane 30.91
    tert-butylcyclohexane 105.37
    cyclooctane 74.53
    cyclopentanol 1552.73
    tetrahydropyran 4799.34
    tert-amyl methyl ether 1237.16
    2,5,8-trioxanonane 1243.75
    1-hexene 1014.65
    2-isopropoxyethanol 1018.7
    2,2,2-trifluoroethanol 425.32
    methyl butyrate 2495.25

    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