Butyl nonanoate

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  • Identifiers

    CAS number
    50623-57-9

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCC(=O)OCCCC

  • Odor profile

    Fragrance
    Fruity 90.96%
    Winey 73.66%
    Oily 73.49%
    Fatty 64.25%
    Cognac 62.12%
    Green 60.16%
    Waxy 57.76%
    Sweet 55.82%
    Floral 50.88%
    Herbal 43.55%

     

    Flavor
    Fruity 78.91%
    Waxy 68.67%
    Sweet 58.27%
    Green 55.1%
    Oily 45.42%
    Soapy 45.11%
    Wine 44.97%
    Apple 42.74%
    Pear 41.99%
    Tropical 39.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.58 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 106.84 ˚C est.

  • Synonyms

    • BUTYL NONANOATE
    • Butyl nonan-1-oate
    • 50623-57-9
    • Nonanoic acid, butyl ester
    • Butyl pelargonate
    • UNII-9YX9F28J2N
    • 9YX9F28J2N
    • N-BUTYL NONANOATE
    • EINECS 256-661-2
    • AI3-33588
    • n-Pelargonic acid, butyl ester
    • DTXSID80198671
    • nonanoic acid butyl ester
    • Pelargonic acid butyl ester
    • SCHEMBL395831
    • DTXCID40121162
    • AKOS017548030
    • NS00022255
    • Q27273395

  • Applications

    Butyl nonanoate (CAS 50623-57-9) is an ester widely used as a fragrance ingredient in perfumery and cosmetics, imparting a fruity light note. It is also employed as a solvent or co-solvent in paints, coatings, and ink systems. The ester can serve as a plasticizer or processing aid in certain polymers and may function as an intermediate in organic synthesis. Additionally, esters of this type are commonly considered for aroma formulations and may appear in household cleaning products and flavor applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12280.3
    methanol 11870.49
    isopropanol 12369.72
    water 0.1
    ethyl acetate 13427.19
    n-propanol 10571.98
    acetone 22637.01
    n-butanol 9430.98
    acetonitrile 10657.45
    DMF 10795.44
    toluene 4080.19
    isobutanol 8327.95
    1,4-dioxane 10640.79
    methyl acetate 8285.61
    THF 14600.11
    2-butanone 13447.95
    n-pentanol 5950.09
    sec-butanol 10008.1
    n-hexane 3884.83
    ethylene glycol 450.47
    NMP 7257.44
    cyclohexane 5264.59
    DMSO 12029.87
    n-butyl acetate 11139.32
    n-octanol 2443.71
    chloroform 16190.33
    n-propyl acetate 9482.01
    acetic acid 5729.88
    dichloromethane 16600.27
    cyclohexanone 18873.22
    propylene glycol 1122.36
    isopropyl acetate 8595.79
    DMAc 6345.92
    2-ethoxyethanol 4789.18
    isopentanol 8376.85
    n-heptane 1301.67
    ethyl formate 5610.41
    1,2-dichloroethane 13162.96
    n-hexanol 5230.19
    2-methoxyethanol 7646.91
    isobutyl acetate 4690.59
    tetrachloromethane 2899.29
    n-pentyl acetate 5977.87
    transcutol 13491.36
    n-heptanol 2141.22
    ethylbenzene 2347.82
    MIBK 6203.89
    2-propoxyethanol 5511.67
    tert-butanol 12011.01
    MTBE 13687.57
    2-butoxyethanol 3323.79
    propionic acid 5243.33
    o-xylene 2204.11
    formic acid 778.73
    diethyl ether 15131.79
    m-xylene 2287.02
    p-xylene 3187.71
    chlorobenzene 5527.46
    dimethyl carbonate 1313.06
    n-octane 475.81
    formamide 1611.1
    cyclopentanone 13518.64
    2-pentanone 13354.7
    anisole 3462.7
    cyclopentyl methyl ether 9506.2
    gamma-butyrolactone 10735.84
    1-methoxy-2-propanol 6234.09
    pyridine 12237.32
    3-pentanone 7254.1
    furfural 6701.05
    n-dodecane 225.57
    diethylene glycol 2169.12
    diisopropyl ether 3856.87
    tert-amyl alcohol 9411.43
    acetylacetone 8810.78
    n-hexadecane 278.75
    acetophenone 3309.42
    methyl propionate 6509.87
    isopentyl acetate 8269.85
    trichloroethylene 18043.19
    n-nonanol 1963.92
    cyclohexanol 9925.97
    benzyl alcohol 2574.95
    2-ethylhexanol 3659.39
    isooctanol 1877.76
    dipropyl ether 6366.02
    1,2-dichlorobenzene 4227.17
    ethyl lactate 1749.82
    propylene carbonate 5578.3
    n-methylformamide 5092.96
    2-pentanol 7622.37
    n-pentane 2198.92
    1-propoxy-2-propanol 5450.48
    1-methoxy-2-propyl acetate 5096.46
    2-(2-methoxypropoxy) propanol 2195.21
    mesitylene 1495.98
    ε-caprolactone 12212.34
    p-cymene 1277.37
    epichlorohydrin 11668.8
    1,1,1-trichloroethane 12021.51
    2-aminoethanol 1843.04
    morpholine-4-carbaldehyde 6368.24
    sulfolane 9852.06
    2,2,4-trimethylpentane 637.26
    2-methyltetrahydrofuran 15375.56
    n-hexyl acetate 6629.94
    isooctane 522.05
    2-(2-butoxyethoxy)ethanol 3462.37
    sec-butyl acetate 5888.34
    tert-butyl acetate 7016.98
    decalin 1240.14
    glycerin 1052.1
    diglyme 7059.31
    acrylic acid 2871.47
    isopropyl myristate 1728.4
    n-butyric acid 11529.43
    acetyl acetate 5075.05
    di(2-ethylhexyl) phthalate 1144.65
    ethyl propionate 6763.69
    nitromethane 10320.49
    1,2-diethoxyethane 8257.18
    benzonitrile 4986.93
    trioctyl phosphate 934.92
    1-bromopropane 11356.03
    gamma-valerolactone 13804.39
    n-decanol 1204.31
    triethyl phosphate 1458.3
    4-methyl-2-pentanol 3278.22
    propionitrile 8485.47
    vinylene carbonate 4576.45
    1,1,2-trichlorotrifluoroethane 5936.81
    DMS 2743.17
    cumene 1364.95
    2-octanol 2014.45
    2-hexanone 8977.18
    octyl acetate 2081.03
    limonene 2700.9
    1,2-dimethoxyethane 10697.8
    ethyl orthosilicate 1514.63
    tributyl phosphate 1355.0
    diacetone alcohol 5108.21
    N,N-dimethylaniline 2067.75
    acrylonitrile 7440.89
    aniline 4331.51
    1,3-propanediol 3698.46
    bromobenzene 6470.49
    dibromomethane 13076.82
    1,1,2,2-tetrachloroethane 14470.66
    2-methyl-cyclohexyl acetate 3003.92
    tetrabutyl urea 1699.34
    diisobutyl methanol 1955.05
    2-phenylethanol 2487.57
    styrene 3412.1
    dioctyl adipate 2194.71
    dimethyl sulfate 1807.99
    ethyl butyrate 6233.55
    methyl lactate 1645.65
    butyl lactate 2967.92
    diethyl carbonate 2767.01
    propanediol butyl ether 2659.07
    triethyl orthoformate 3127.66
    p-tert-butyltoluene 1165.77
    methyl 4-tert-butylbenzoate 2176.29
    morpholine 15947.97
    tert-butylamine 8399.96
    n-dodecanol 842.63
    dimethoxymethane 5825.79
    ethylene carbonate 4810.7
    cyrene 1547.63
    2-ethoxyethyl acetate 5021.53
    2-ethylhexyl acetate 6055.7
    1,2,4-trichlorobenzene 4393.7
    4-methylpyridine 11068.28
    dibutyl ether 6310.92
    2,6-dimethyl-4-heptanol 1955.05
    DEF 11084.56
    dimethyl isosorbide 3443.86
    tetrachloroethylene 9515.28
    eugenol 1915.95
    triacetin 3356.29
    span 80 2463.21
    1,4-butanediol 1320.16
    1,1-dichloroethane 14878.66
    2-methyl-1-pentanol 4929.98
    methyl formate 2838.86
    2-methyl-1-butanol 7226.12
    n-decane 532.52
    butyronitrile 11394.46
    3,7-dimethyl-1-octanol 2440.82
    1-chlorooctane 2292.32
    1-chlorotetradecane 614.07
    n-nonane 616.76
    undecane 323.47
    tert-butylcyclohexane 1002.06
    cyclooctane 1050.98
    cyclopentanol 8265.41
    tetrahydropyran 21398.41
    tert-amyl methyl ether 7296.8
    2,5,8-trioxanonane 3670.37
    1-hexene 9997.86
    2-isopropoxyethanol 3818.75
    2,2,2-trifluoroethanol 1159.52
    methyl butyrate 10511.68

    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