2-Nonenoic acid, ethyl ester

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  • Identifiers

    CAS number
    17463-01-3

    Molecular formula
    C11H20O2

    SMILES
    CCCCCC/C=C/C(=O)OCC

  • Odor profile

    Fragrance
    Fruity 87.41%
    Green 84.27%
    Fatty 78.96%
    Waxy 73.92%
    Pear 67.13%
    Melon 55.71%
    Tropical 50.86%
    Pineapple 44.5%
    Oily 43.09%
    Fresh 41.16%

     

    Flavor
    Fruity 83.34%
    Green 73.22%
    Waxy 67.31%
    Pear 54.6%
    Apple 52.58%
    Tropical 46.0%
    Sweet 42.04%
    Fruit 38.13%
    Fatty 35.77%
    Oily 33.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.0 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 96.58 ˚C est.

  • Synonyms

    • 2-Nonenoic acid, ethyl ester
    • Ethyl 2-nonenoate
    • ethyl (E)-non-2-enoate
    • 17463-01-3
    • 38112-59-3
    • Ethyl non-2-enoate
    • 2-Nonenoic acid, ethyl ester, (E)-
    • Ethyl (E)-2-nonenoate
    • EINECS 241-476-1
    • ETHYL (2E)-NON-2-ENOATE
    • NSC 250998
    • DTXSID2066199
    • starbld0038353
    • (E)-ethyl 2-nonenoate
    • Ethyl (2E)-2-nonenoate
    • Ethyl (2E)-2-nonenoate #
    • SCHEMBL1468542
    • DTXCID2035562
    • DTXSID201314389
    • (E)-non-2-enoic acid ethyl ester
    • trans-non-2-enoic acid ethyl ester
    • AC9668
    • NSC250998
    • AKOS006271986
    • NSC-250998
    • NS00025739

  • Applications

    Ethyl 2-nonenoate (2-Nonenoic acid, ethyl ester; CAS 17463-01-3) is used mainly as a fragrance ingredient in perfumery, delivering green and fruity notes; it is commonly evaluated as an aroma intermediate in fragrance and flavor synthesis; in cosmetics and personal care, it may appear as a fragrance component in lotions, soaps, and scented products; in household products such as air fresheners and cleaners, it contributes to scent profiles; in industrial manufacturing, it serves as an intermediate for synthesizing aroma compounds and related materials used in flavor and fragrance applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5891.67
    methanol 6386.5
    isopropanol 4626.59
    water 0.06
    ethyl acetate 4622.1
    n-propanol 4394.67
    acetone 8975.08
    n-butanol 3805.64
    acetonitrile 4445.17
    DMF 6298.16
    toluene 1805.35
    isobutanol 3129.16
    1,4-dioxane 4455.33
    methyl acetate 3200.99
    THF 7425.92
    2-butanone 5374.98
    n-pentanol 2688.1
    sec-butanol 3880.49
    n-hexane 1028.95
    ethylene glycol 379.85
    NMP 4050.1
    cyclohexane 1132.77
    DMSO 7840.6
    n-butyl acetate 3218.02
    n-octanol 715.36
    chloroform 6451.94
    n-propyl acetate 2612.21
    acetic acid 2877.31
    dichloromethane 7094.34
    cyclohexanone 6622.32
    propylene glycol 799.38
    isopropyl acetate 2479.33
    DMAc 2946.52
    2-ethoxyethanol 2221.23
    isopentanol 2999.66
    n-heptane 248.15
    ethyl formate 1860.49
    1,2-dichloroethane 5830.3
    n-hexanol 2384.92
    2-methoxyethanol 4094.97
    isobutyl acetate 1298.74
    tetrachloromethane 876.89
    n-pentyl acetate 1418.18
    transcutol 6711.77
    n-heptanol 657.4
    ethylbenzene 814.65
    MIBK 2057.21
    2-propoxyethanol 2671.28
    tert-butanol 4564.92
    MTBE 4804.65
    2-butoxyethanol 1147.73
    propionic acid 2252.14
    o-xylene 767.13
    formic acid 476.78
    diethyl ether 5900.21
    m-xylene 998.6
    p-xylene 921.65
    chlorobenzene 2021.54
    dimethyl carbonate 672.2
    n-octane 87.02
    formamide 890.28
    cyclopentanone 5818.44
    2-pentanone 5008.16
    anisole 1382.21
    cyclopentyl methyl ether 4324.94
    gamma-butyrolactone 4804.26
    1-methoxy-2-propanol 3168.92
    pyridine 4530.93
    3-pentanone 2837.06
    furfural 2858.02
    n-dodecane 55.67
    diethylene glycol 1351.88
    diisopropyl ether 1160.37
    tert-amyl alcohol 3610.67
    acetylacetone 3334.94
    n-hexadecane 67.72
    acetophenone 1191.78
    methyl propionate 2858.55
    isopentyl acetate 2369.15
    trichloroethylene 7827.4
    n-nonanol 592.96
    cyclohexanol 3535.65
    benzyl alcohol 1131.78
    2-ethylhexanol 1247.0
    isooctanol 559.89
    dipropyl ether 1747.55
    1,2-dichlorobenzene 1564.19
    ethyl lactate 642.87
    propylene carbonate 2122.63
    n-methylformamide 2573.94
    2-pentanol 2751.22
    n-pentane 621.81
    1-propoxy-2-propanol 2126.79
    1-methoxy-2-propyl acetate 1936.09
    2-(2-methoxypropoxy) propanol 1059.31
    mesitylene 596.82
    ε-caprolactone 3938.04
    p-cymene 381.28
    epichlorohydrin 5703.78
    1,1,1-trichloroethane 4268.0
    2-aminoethanol 1274.09
    morpholine-4-carbaldehyde 2897.44
    sulfolane 5537.98
    2,2,4-trimethylpentane 203.33
    2-methyltetrahydrofuran 6806.58
    n-hexyl acetate 1795.71
    isooctane 169.84
    2-(2-butoxyethoxy)ethanol 1606.51
    sec-butyl acetate 1539.19
    tert-butyl acetate 2296.03
    decalin 351.29
    glycerin 770.55
    diglyme 2774.87
    acrylic acid 1445.75
    isopropyl myristate 569.06
    n-butyric acid 3957.62
    acetyl acetate 1628.46
    di(2-ethylhexyl) phthalate 460.11
    ethyl propionate 1961.33
    nitromethane 4591.58
    1,2-diethoxyethane 2812.1
    benzonitrile 1693.82
    trioctyl phosphate 340.31
    1-bromopropane 4452.15
    gamma-valerolactone 5168.85
    n-decanol 404.67
    triethyl phosphate 486.48
    4-methyl-2-pentanol 1111.8
    propionitrile 3135.78
    vinylene carbonate 1703.32
    1,1,2-trichlorotrifluoroethane 2959.65
    DMS 1057.19
    cumene 449.25
    2-octanol 527.69
    2-hexanone 2983.01
    octyl acetate 726.61
    limonene 762.85
    1,2-dimethoxyethane 4046.77
    ethyl orthosilicate 506.73
    tributyl phosphate 495.53
    diacetone alcohol 2093.78
    N,N-dimethylaniline 812.66
    acrylonitrile 3155.93
    aniline 2107.53
    1,3-propanediol 1874.13
    bromobenzene 2363.2
    dibromomethane 5515.52
    1,1,2,2-tetrachloroethane 6242.46
    2-methyl-cyclohexyl acetate 1015.44
    tetrabutyl urea 650.49
    diisobutyl methanol 579.95
    2-phenylethanol 1098.93
    styrene 1241.79
    dioctyl adipate 802.65
    dimethyl sulfate 1066.27
    ethyl butyrate 1613.56
    methyl lactate 875.72
    butyl lactate 903.25
    diethyl carbonate 837.63
    propanediol butyl ether 1142.97
    triethyl orthoformate 864.42
    p-tert-butyltoluene 370.69
    methyl 4-tert-butylbenzoate 788.51
    morpholine 7135.45
    tert-butylamine 3088.92
    n-dodecanol 298.83
    dimethoxymethane 3182.94
    ethylene carbonate 1515.4
    cyrene 814.89
    2-ethoxyethyl acetate 1667.97
    2-ethylhexyl acetate 1736.74
    1,2,4-trichlorobenzene 1779.67
    4-methylpyridine 4508.71
    dibutyl ether 1536.78
    2,6-dimethyl-4-heptanol 579.95
    DEF 4263.7
    dimethyl isosorbide 1697.44
    tetrachloroethylene 3610.6
    eugenol 818.3
    triacetin 1182.86
    span 80 1069.47
    1,4-butanediol 725.77
    1,1-dichloroethane 5849.15
    2-methyl-1-pentanol 2136.01
    methyl formate 1429.16
    2-methyl-1-butanol 2878.05
    n-decane 108.52
    butyronitrile 4030.6
    3,7-dimethyl-1-octanol 800.46
    1-chlorooctane 602.3
    1-chlorotetradecane 198.23
    n-nonane 117.71
    undecane 74.66
    tert-butylcyclohexane 308.16
    cyclooctane 246.72
    cyclopentanol 3302.85
    tetrahydropyran 8154.39
    tert-amyl methyl ether 2752.69
    2,5,8-trioxanonane 1712.79
    1-hexene 3288.87
    2-isopropoxyethanol 1636.82
    2,2,2-trifluoroethanol 484.06
    methyl butyrate 2925.91

    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