3-Nonanol acetate

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  • Identifiers

    CAS number
    60826-15-5

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCC(CC)OC(=O)C

  • Odor profile

    Fragrance
    Floral 82.18%
    Green 75.77%
    Fruity 74.09%
    Waxy 64.7%
    Herbal 62.14%
    Citrus 56.16%
    Fresh 53.51%
    Rose 52.74%
    Oily 46.43%
    Sweet 45.79%

     

    Flavor
    Green 58.12%
    Herbal 54.07%
    Fruity 44.88%
    Woody 41.79%
    Fresh 40.84%
    Floral 40.43%
    Waxy 35.44%
    Oily 35.26%
    Earthy 34.99%
    Mushroom 33.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.76 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point

    • 85.07 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in fats and non-polar solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • nonan-3-yl acetate
    • 60826-15-5
    • 3-nonanol acetate
    • 3-Nonanol, acetate
    • 3-nonyl acetate
    • 7J2FQY0W0R
    • 3-Nonanol, 3-acetate
    • UNII-7J2FQY0W0R
    • FEMA NO. 4007
    • DTXSID50866830
    • EINECS 262-444-3
    • NONAN-3-YL ACETATE, (+/-)-
    • 3-acetoxynonane
    • nonan-3-ylacetate
    • SCHEMBL227644
    • DTXCID70815067
    • (+/-)NONAN-3-YL ACETATE
    • AKOS037643904
    • AS-40087
    • (+/-)NONAN-3-YL ACETATE [FHFI]
    • (+/-)-NONAN-3-YL ACETATE [FHFI]
    • NS00121684
    • Q27268379
    • 262-444-3

  • Applications

    3-Nonanol acetate (CAS 60826-15-5) is used primarily as a fragrance ingredient (odorant) and fixative in perfumery and cosmetics, and it may also function as a solvent or intermediate in the synthesis of fragrance compounds for industrial manufacturing; it may appear in household products such as air fresheners and cleaners to provide fragrance notes; in polymer, coatings, and ink formulations, it can serve as a processing aid or solvent, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8174.57
    methanol 8600.22
    isopropanol 8029.93
    water 0.3
    ethyl acetate 5729.06
    n-propanol 6756.73
    acetone 10074.4
    n-butanol 6014.86
    acetonitrile 5634.4
    DMF 6814.93
    toluene 2622.72
    isobutanol 5753.42
    1,4-dioxane 6580.19
    methyl acetate 4260.2
    THF 9414.56
    2-butanone 6567.42
    n-pentanol 4131.9
    sec-butanol 6748.3
    n-hexane 3079.07
    ethylene glycol 644.38
    NMP 4997.38
    cyclohexane 2399.29
    DMSO 6961.76
    n-butyl acetate 5188.94
    n-octanol 1671.3
    chloroform 10148.58
    n-propyl acetate 3672.13
    acetic acid 3573.6
    dichloromethane 8418.67
    cyclohexanone 9038.73
    propylene glycol 1338.03
    isopropyl acetate 3905.01
    DMAc 4354.25
    2-ethoxyethanol 3225.07
    isopentanol 5543.83
    n-heptane 728.01
    ethyl formate 2682.87
    1,2-dichloroethane 6049.04
    n-hexanol 4493.74
    2-methoxyethanol 5184.87
    isobutyl acetate 2267.75
    tetrachloromethane 1918.82
    n-pentyl acetate 2678.26
    transcutol 8051.34
    n-heptanol 1427.5
    ethylbenzene 1427.47
    MIBK 3333.95
    2-propoxyethanol 4385.5
    tert-butanol 8515.44
    MTBE 8886.23
    2-butoxyethanol 2094.12
    propionic acid 3629.14
    o-xylene 1423.11
    formic acid 751.95
    diethyl ether 8549.7
    m-xylene 1621.32
    p-xylene 1818.08
    chlorobenzene 3156.66
    dimethyl carbonate 835.52
    n-octane 262.74
    formamide 1073.21
    cyclopentanone 7193.3
    2-pentanone 6056.66
    anisole 2110.51
    cyclopentyl methyl ether 6052.05
    gamma-butyrolactone 5892.5
    1-methoxy-2-propanol 4362.18
    pyridine 5664.28
    3-pentanone 3708.06
    furfural 3815.94
    n-dodecane 156.76
    diethylene glycol 1965.68
    diisopropyl ether 2247.53
    tert-amyl alcohol 6899.21
    acetylacetone 4249.34
    n-hexadecane 186.56
    acetophenone 1747.07
    methyl propionate 3404.85
    isopentyl acetate 4296.04
    trichloroethylene 8241.07
    n-nonanol 1330.47
    cyclohexanol 6006.36
    benzyl alcohol 1759.22
    2-ethylhexanol 2611.59
    isooctanol 1221.69
    dipropyl ether 3260.83
    1,2-dichlorobenzene 2424.58
    ethyl lactate 977.64
    propylene carbonate 2988.82
    n-methylformamide 3105.59
    2-pentanol 4743.3
    n-pentane 1569.12
    1-propoxy-2-propanol 3703.56
    1-methoxy-2-propyl acetate 2922.05
    2-(2-methoxypropoxy) propanol 1648.23
    mesitylene 1082.67
    ε-caprolactone 5990.74
    p-cymene 773.62
    epichlorohydrin 6462.04
    1,1,1-trichloroethane 6335.34
    2-aminoethanol 1893.02
    morpholine-4-carbaldehyde 4271.7
    sulfolane 6521.44
    2,2,4-trimethylpentane 533.14
    2-methyltetrahydrofuran 8989.22
    n-hexyl acetate 3573.0
    isooctane 401.75
    2-(2-butoxyethoxy)ethanol 2415.37
    sec-butyl acetate 2458.31
    tert-butyl acetate 3855.92
    decalin 828.75
    glycerin 1227.21
    diglyme 4110.1
    acrylic acid 2167.61
    isopropyl myristate 1034.49
    n-butyric acid 5807.93
    acetyl acetate 2345.98
    di(2-ethylhexyl) phthalate 825.68
    ethyl propionate 2819.92
    nitromethane 5064.82
    1,2-diethoxyethane 4044.63
    benzonitrile 2791.32
    trioctyl phosphate 645.51
    1-bromopropane 5835.34
    gamma-valerolactone 6980.01
    n-decanol 869.55
    triethyl phosphate 775.81
    4-methyl-2-pentanol 2167.14
    propionitrile 4803.07
    vinylene carbonate 2510.72
    1,1,2-trichlorotrifluoroethane 3772.8
    DMS 1666.25
    cumene 912.93
    2-octanol 1252.52
    2-hexanone 4379.02
    octyl acetate 1265.88
    limonene 1553.44
    1,2-dimethoxyethane 6539.6
    ethyl orthosilicate 851.34
    tributyl phosphate 897.05
    diacetone alcohol 3235.43
    N,N-dimethylaniline 1393.13
    acrylonitrile 4330.43
    aniline 2976.43
    1,3-propanediol 2757.43
    bromobenzene 3617.73
    dibromomethane 7039.22
    1,1,2,2-tetrachloroethane 7926.94
    2-methyl-cyclohexyl acetate 1742.2
    tetrabutyl urea 1111.21
    diisobutyl methanol 1181.13
    2-phenylethanol 1788.01
    styrene 1890.59
    dioctyl adipate 1359.1
    dimethyl sulfate 1343.88
    ethyl butyrate 2536.92
    methyl lactate 1111.38
    butyl lactate 1657.54
    diethyl carbonate 1233.89
    propanediol butyl ether 1947.54
    triethyl orthoformate 1513.54
    p-tert-butyltoluene 748.31
    methyl 4-tert-butylbenzoate 1381.89
    morpholine 9110.58
    tert-butylamine 5831.93
    n-dodecanol 621.77
    dimethoxymethane 3376.58
    ethylene carbonate 2516.31
    cyrene 1231.86
    2-ethoxyethyl acetate 2489.38
    2-ethylhexyl acetate 3155.15
    1,2,4-trichlorobenzene 2644.45
    4-methylpyridine 6282.91
    dibutyl ether 3105.2
    2,6-dimethyl-4-heptanol 1181.13
    DEF 5548.07
    dimethyl isosorbide 2473.31
    tetrachloroethylene 5100.88
    eugenol 1296.47
    triacetin 1888.07
    span 80 1791.29
    1,4-butanediol 1151.76
    1,1-dichloroethane 7766.51
    2-methyl-1-pentanol 3685.12
    methyl formate 1924.12
    2-methyl-1-butanol 5308.79
    n-decane 322.68
    butyronitrile 5896.96
    3,7-dimethyl-1-octanol 1781.38
    1-chlorooctane 1360.63
    1-chlorotetradecane 421.07
    n-nonane 372.7
    undecane 212.64
    tert-butylcyclohexane 763.44
    cyclooctane 608.55
    cyclopentanol 5592.98
    tetrahydropyran 11092.21
    tert-amyl methyl ether 5131.91
    2,5,8-trioxanonane 2392.75
    1-hexene 6586.99
    2-isopropoxyethanol 2615.22
    2,2,2-trifluoroethanol 823.46
    methyl butyrate 4313.59

    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