Prop-2-enyl non-2-enoate

  • Identifiers

    Molecular formula
    C12H20O2

    SMILES
    CCCCCCC=CC(=O)OCC=C

  • Odor profile

    Fragrance
    Fruity 89.02%
    Fatty 72.56%
    Green 71.28%
    Waxy 66.61%
    Pineapple 60.64%
    Pear 58.42%
    Sweet 53.12%
    Tropical 49.75%
    Melon 44.61%
    Apple 38.44%

     

    Flavor
    Fruity 68.97%
    Green 59.71%
    Waxy 46.31%
    Fatty 43.28%
    Oily 35.93%
    Pear 33.7%
    Sweet 32.16%
    Tropical 31.66%
    Apple 31.58%
    Mushroom 28.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.57 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 109.74 ˚C est.

  • Applications

    Prop-2-enyl non-2-enoate is commonly viewed as an allyl ester of an unsaturated acid and is used as a precursor in organic synthesis, as a monomer or crosslinking component in polymer systems and UV-curable coatings; it can also function as a solvent or processing aid in coating, ink, and adhesive formulations; in addition, it may serve as a fragrance ingredient or odorant precursor in perfumery, depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2337.83
    methanol 2269.76
    isopropanol 1595.63
    water 0.02
    ethyl acetate 2736.93
    n-propanol 1729.0
    acetone 3606.02
    n-butanol 1519.96
    acetonitrile 1519.52
    DMF 3133.45
    toluene 1034.52
    isobutanol 1246.5
    1,4-dioxane 1804.64
    methyl acetate 1680.0
    THF 3730.22
    2-butanone 2976.88
    n-pentanol 1171.99
    sec-butanol 1618.23
    n-hexane 340.99
    ethylene glycol 116.82
    NMP 2106.15
    cyclohexane 379.06
    DMSO 3851.12
    n-butyl acetate 1958.07
    n-octanol 366.79
    chloroform 2708.49
    n-propyl acetate 1534.79
    acetic acid 1002.78
    dichloromethane 3287.32
    cyclohexanone 3240.7
    propylene glycol 314.09
    isopropyl acetate 1489.62
    DMAc 2139.12
    2-ethoxyethanol 1119.38
    isopentanol 1326.97
    n-heptane 103.58
    ethyl formate 897.18
    1,2-dichloroethane 2963.16
    n-hexanol 1187.58
    2-methoxyethanol 1906.08
    isobutyl acetate 832.22
    tetrachloromethane 309.18
    n-pentyl acetate 862.36
    transcutol 4264.93
    n-heptanol 341.41
    ethylbenzene 512.07
    MIBK 1198.45
    2-propoxyethanol 1536.1
    tert-butanol 1758.15
    MTBE 2238.56
    2-butoxyethanol 636.63
    propionic acid 857.91
    o-xylene 520.9
    formic acid 169.09
    diethyl ether 2590.98
    m-xylene 658.18
    p-xylene 551.0
    chlorobenzene 1143.78
    dimethyl carbonate 424.77
    n-octane 39.95
    formamide 331.57
    cyclopentanone 3118.86
    2-pentanone 2708.94
    anisole 906.96
    cyclopentyl methyl ether 2119.51
    gamma-butyrolactone 2555.61
    1-methoxy-2-propanol 1653.08
    pyridine 2232.02
    3-pentanone 1635.08
    furfural 1614.23
    n-dodecane 28.29
    diethylene glycol 711.06
    diisopropyl ether 631.45
    tert-amyl alcohol 1678.29
    acetylacetone 1968.26
    n-hexadecane 34.19
    acetophenone 867.96
    methyl propionate 1695.95
    isopentyl acetate 1562.46
    trichloroethylene 4442.4
    n-nonanol 306.12
    cyclohexanol 1346.55
    benzyl alcohol 670.36
    2-ethylhexanol 696.57
    isooctanol 307.07
    dipropyl ether 902.48
    1,2-dichlorobenzene 955.26
    ethyl lactate 388.99
    propylene carbonate 1201.57
    n-methylformamide 1040.05
    2-pentanol 1256.63
    n-pentane 220.33
    1-propoxy-2-propanol 1236.97
    1-methoxy-2-propyl acetate 1317.4
    2-(2-methoxypropoxy) propanol 689.94
    mesitylene 367.45
    ε-caprolactone 2080.65
    p-cymene 256.04
    epichlorohydrin 3257.71
    1,1,1-trichloroethane 2031.07
    2-aminoethanol 451.59
    morpholine-4-carbaldehyde 1506.06
    sulfolane 2692.02
    2,2,4-trimethylpentane 105.66
    2-methyltetrahydrofuran 3308.52
    n-hexyl acetate 1076.54
    isooctane 93.18
    2-(2-butoxyethoxy)ethanol 1000.4
    sec-butyl acetate 1029.29
    tert-butyl acetate 1420.12
    decalin 170.46
    glycerin 297.39
    diglyme 1762.35
    acrylic acid 532.42
    isopropyl myristate 347.73
    n-butyric acid 1727.95
    acetyl acetate 993.09
    di(2-ethylhexyl) phthalate 282.02
    ethyl propionate 1237.96
    nitromethane 1935.06
    1,2-diethoxyethane 1744.52
    benzonitrile 939.37
    trioctyl phosphate 199.42
    1-bromopropane 2103.02
    gamma-valerolactone 2546.71
    n-decanol 211.69
    triethyl phosphate 330.93
    4-methyl-2-pentanol 577.74
    propionitrile 1259.11
    vinylene carbonate 942.08
    1,1,2-trichlorotrifluoroethane 1503.44
    DMS 724.12
    cumene 293.74
    2-octanol 281.72
    2-hexanone 1708.0
    octyl acetate 422.64
    limonene 471.31
    1,2-dimethoxyethane 2051.36
    ethyl orthosilicate 331.46
    tributyl phosphate 295.88
    diacetone alcohol 1265.65
    N,N-dimethylaniline 537.76
    acrylonitrile 1387.87
    aniline 948.63
    1,3-propanediol 736.93
    bromobenzene 1354.28
    dibromomethane 2451.03
    1,1,2,2-tetrachloroethane 3420.26
    2-methyl-cyclohexyl acetate 680.71
    tetrabutyl urea 402.36
    diisobutyl methanol 365.24
    2-phenylethanol 672.7
    styrene 729.71
    dioctyl adipate 481.33
    dimethyl sulfate 623.6
    ethyl butyrate 1034.76
    methyl lactate 476.4
    butyl lactate 546.72
    diethyl carbonate 547.58
    propanediol butyl ether 617.1
    triethyl orthoformate 556.6
    p-tert-butyltoluene 252.49
    methyl 4-tert-butylbenzoate 538.31
    morpholine 2875.41
    tert-butylamine 1080.37
    n-dodecanol 159.78
    dimethoxymethane 1884.12
    ethylene carbonate 799.01
    cyrene 534.69
    2-ethoxyethyl acetate 1056.17
    2-ethylhexyl acetate 1144.89
    1,2,4-trichlorobenzene 1060.4
    4-methylpyridine 2336.33
    dibutyl ether 817.9
    2,6-dimethyl-4-heptanol 365.24
    DEF 2322.9
    dimethyl isosorbide 1093.53
    tetrachloroethylene 1804.6
    eugenol 542.66
    triacetin 721.69
    span 80 615.67
    1,4-butanediol 287.31
    1,1-dichloroethane 2637.42
    2-methyl-1-pentanol 1097.78
    methyl formate 642.33
    2-methyl-1-butanol 1309.99
    n-decane 52.06
    butyronitrile 1690.96
    3,7-dimethyl-1-octanol 469.78
    1-chlorooctane 320.73
    1-chlorotetradecane 104.49
    n-nonane 53.74
    undecane 36.91
    tert-butylcyclohexane 153.22
    cyclooctane 100.08
    cyclopentanol 1191.38
    tetrahydropyran 3334.47
    tert-amyl methyl ether 1515.0
    2,5,8-trioxanonane 1101.03
    1-hexene 1311.13
    2-isopropoxyethanol 891.76
    2,2,2-trifluoroethanol 169.52
    methyl butyrate 1770.85

    Scent© AI

1 of 3
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