Nonyl nonan-1-oate

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  • Identifiers

    CAS number
    87310-12-1

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCCOC(=O)CCCCCCCC

  • Odor profile

    Fragrance
    Oily 74.06%
    Fatty 67.88%
    Fruity 66.54%
    Waxy 60.66%
    Floral 52.27%
    Winey 50.35%
    Cognac 47.22%
    Sweet 42.68%
    Rose 41.79%
    Orange 35.5%

     

    Flavor
    Waxy 72.35%
    Oily 53.77%
    Fatty 51.93%
    Soapy 49.36%
    Sweet 46.75%
    Fruity 46.47%
    Coconut 42.74%
    Mild 40.16%
    Creamy 38.89%
    Fat 37.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.09 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 148.27 ˚C est.

  • Synonyms

    • Nonyl nonan-1-oate
    • nonyl nonanoate
    • 87310-12-1
    • Nonanoic acid, nonyl ester
    • EINECS 289-311-2
    • Pelargonicn acid, nonyl ester
    • SCHEMBL3503534
    • DTXSID601007487
    • NS00064876
    • E80515
    • Q63395711

  • Applications

    Nonyl nonan-1-oate (CAS 87310-12-1) is an ester of nonanoic acid and nonanol. In practice, it is commonly used as a fragrance ingredient and fixative in perfumery, providing aroma retention and stability. It is also employed as an emollient and solvent in cosmetics and personal care, aiding formulation, dissolution of ingredients, and skin feel. In household products, it can serve as a fragrance solvent and conditioning component. In coatings, inks, and adhesives, it is used as a plasticizer or processing solvent to improve flexibility and handling during manufacturing. It may also function as an intermediate or processing aid in industrial manufacturing and polymer processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1645.85
    methanol 1344.63
    isopropanol 2271.77
    water 0.06
    ethyl acetate 6409.62
    n-propanol 2034.09
    acetone 5755.49
    n-butanol 2238.65
    acetonitrile 2214.25
    DMF 4889.35
    toluene 2054.41
    isobutanol 2041.87
    1,4-dioxane 4339.45
    methyl acetate 3473.26
    THF 8042.21
    2-butanone 5361.57
    n-pentanol 1460.28
    sec-butanol 2360.33
    n-hexane 1079.05
    ethylene glycol 63.38
    NMP 5999.11
    cyclohexane 3025.11
    DMSO 5069.15
    n-butyl acetate 5484.44
    n-octanol 1055.46
    chloroform 7976.6
    n-propyl acetate 5802.08
    acetic acid 1490.41
    dichloromethane 8817.29
    cyclohexanone 11615.95
    propylene glycol 222.15
    isopropyl acetate 5018.38
    DMAc 5022.84
    2-ethoxyethanol 1956.43
    isopentanol 2607.93
    n-heptane 697.13
    ethyl formate 2253.53
    1,2-dichloroethane 7767.61
    n-hexanol 1359.04
    2-methoxyethanol 2512.95
    isobutyl acetate 3212.37
    tetrachloromethane 2047.29
    n-pentyl acetate 4947.52
    transcutol 7751.06
    n-heptanol 962.57
    ethylbenzene 1270.58
    MIBK 4173.91
    2-propoxyethanol 2152.05
    tert-butanol 3245.71
    MTBE 5437.14
    2-butoxyethanol 1936.28
    propionic acid 1798.93
    o-xylene 1521.85
    formic acid 193.88
    diethyl ether 5318.92
    m-xylene 1411.91
    p-xylene 1986.29
    chlorobenzene 3224.4
    dimethyl carbonate 871.17
    n-octane 255.99
    formamide 520.82
    cyclopentanone 8887.66
    2-pentanone 6177.33
    anisole 2166.79
    cyclopentyl methyl ether 6024.51
    gamma-butyrolactone 7320.93
    1-methoxy-2-propanol 2630.27
    pyridine 5401.61
    3-pentanone 4213.42
    furfural 4528.29
    n-dodecane 115.33
    diethylene glycol 702.32
    diisopropyl ether 2058.6
    tert-amyl alcohol 3006.58
    acetylacetone 5248.93
    n-hexadecane 148.63
    acetophenone 2413.69
    methyl propionate 3628.19
    isopentyl acetate 4964.05
    trichloroethylene 10914.78
    n-nonanol 950.85
    cyclohexanol 4040.89
    benzyl alcohol 1226.11
    2-ethylhexanol 1506.54
    isooctanol 1028.09
    dipropyl ether 3518.93
    1,2-dichlorobenzene 3211.19
    ethyl lactate 1159.21
    propylene carbonate 4004.44
    n-methylformamide 1857.83
    2-pentanol 2224.44
    n-pentane 686.08
    1-propoxy-2-propanol 2521.14
    1-methoxy-2-propyl acetate 3590.82
    2-(2-methoxypropoxy) propanol 1375.79
    mesitylene 1041.29
    ε-caprolactone 8161.85
    p-cymene 904.4
    epichlorohydrin 7416.97
    1,1,1-trichloroethane 7690.38
    2-aminoethanol 357.84
    morpholine-4-carbaldehyde 4630.58
    sulfolane 8346.95
    2,2,4-trimethylpentane 374.62
    2-methyltetrahydrofuran 8182.0
    n-hexyl acetate 4633.53
    isooctane 257.76
    2-(2-butoxyethoxy)ethanol 2149.71
    sec-butyl acetate 4118.98
    tert-butyl acetate 5339.84
    decalin 782.22
    glycerin 277.49
    diglyme 5181.41
    acrylic acid 954.01
    isopropyl myristate 1320.68
    n-butyric acid 4644.08
    acetyl acetate 2898.52
    di(2-ethylhexyl) phthalate 781.58
    ethyl propionate 4741.91
    nitromethane 3860.59
    1,2-diethoxyethane 4875.42
    benzonitrile 2448.83
    trioctyl phosphate 660.68
    1-bromopropane 5311.65
    gamma-valerolactone 9401.26
    n-decanol 580.93
    triethyl phosphate 1302.39
    4-methyl-2-pentanol 1330.48
    propionitrile 2610.28
    vinylene carbonate 3014.01
    1,1,2-trichlorotrifluoroethane 3707.67
    DMS 2132.35
    cumene 849.49
    2-octanol 993.56
    2-hexanone 4341.1
    octyl acetate 1545.5
    limonene 1942.16
    1,2-dimethoxyethane 5194.05
    ethyl orthosilicate 1362.45
    tributyl phosphate 997.21
    diacetone alcohol 3552.7
    N,N-dimethylaniline 1486.79
    acrylonitrile 2334.94
    aniline 1927.53
    1,3-propanediol 935.49
    bromobenzene 3997.96
    dibromomethane 6425.15
    1,1,2,2-tetrachloroethane 9912.03
    2-methyl-cyclohexyl acetate 2529.86
    tetrabutyl urea 1388.3
    diisobutyl methanol 1037.75
    2-phenylethanol 1211.06
    styrene 1749.47
    dioctyl adipate 1778.64
    dimethyl sulfate 1551.78
    ethyl butyrate 4559.0
    methyl lactate 957.62
    butyl lactate 2293.19
    diethyl carbonate 2082.97
    propanediol butyl ether 1373.9
    triethyl orthoformate 2718.32
    p-tert-butyltoluene 822.95
    methyl 4-tert-butylbenzoate 1994.29
    morpholine 6713.37
    tert-butylamine 2262.41
    n-dodecanol 416.33
    dimethoxymethane 2825.02
    ethylene carbonate 3253.23
    cyrene 1167.53
    2-ethoxyethyl acetate 4099.2
    2-ethylhexyl acetate 4054.41
    1,2,4-trichlorobenzene 3398.02
    4-methylpyridine 5586.3
    dibutyl ether 3936.16
    2,6-dimethyl-4-heptanol 1037.75
    DEF 6758.57
    dimethyl isosorbide 2802.94
    tetrachloroethylene 6355.98
    eugenol 1433.58
    triacetin 2975.66
    span 80 1487.97
    1,4-butanediol 336.55
    1,1-dichloroethane 7245.62
    2-methyl-1-pentanol 1594.43
    methyl formate 1087.59
    2-methyl-1-butanol 2272.52
    n-decane 295.33
    butyronitrile 3467.87
    3,7-dimethyl-1-octanol 1225.9
    1-chlorooctane 1489.91
    1-chlorotetradecane 399.68
    n-nonane 322.1
    undecane 168.94
    tert-butylcyclohexane 558.76
    cyclooctane 669.82
    cyclopentanol 3449.81
    tetrahydropyran 9253.86
    tert-amyl methyl ether 3836.2
    2,5,8-trioxanonane 2404.76
    1-hexene 2448.16
    2-isopropoxyethanol 1787.64
    2,2,2-trifluoroethanol 519.96
    methyl butyrate 6638.17

    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