Propyl oct-2-enoate

  • Identifiers

    Molecular formula
    C11H20O2

    SMILES
    CCCCCC=CC(=O)OCCC

  • Odor profile

    Fragrance
    Green 81.79%
    Fruity 80.11%
    Fatty 71.18%
    Waxy 65.61%
    Pear 60.43%
    Melon 49.13%
    Tropical 47.59%
    Fresh 43.07%
    Oily 42.4%
    Apple 40.35%

     

    Flavor
    Fruity 77.4%
    Green 75.73%
    Waxy 52.16%
    Apple 50.49%
    Pear 46.55%
    Tropical 42.1%
    Fatty 38.78%
    Sweet 32.77%
    Pineapple 32.02%
    Fruit 30.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.9 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 97.26 ˚C est.

  • Applications

    Propyl oct-2-enoate is used as an intermediate in organic synthesis; it may serve as a fragrance/odorant ingredient in perfumery and cosmetics; it can function as a solvent or processing aid in coatings and inks; it may act as a precursor or intermediate in polymer and plastics synthesis; and it may be evaluated for use in various industrial formulations as a reactive or specialty ester.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6998.0
    methanol 7871.78
    isopropanol 5140.02
    water 0.11
    ethyl acetate 5781.19
    n-propanol 4967.16
    acetone 9996.62
    n-butanol 4560.16
    acetonitrile 5246.54
    DMF 7943.55
    toluene 2201.37
    isobutanol 3756.69
    1,4-dioxane 4593.9
    methyl acetate 3882.11
    THF 7093.73
    2-butanone 6043.99
    n-pentanol 3130.45
    sec-butanol 4515.24
    n-hexane 1244.3
    ethylene glycol 480.59
    NMP 4604.23
    cyclohexane 1311.47
    DMSO 7897.31
    n-butyl acetate 4436.88
    n-octanol 1053.35
    chloroform 7458.71
    n-propyl acetate 3337.74
    acetic acid 3487.27
    dichloromethane 8314.39
    cyclohexanone 7375.44
    propylene glycol 940.76
    isopropyl acetate 3213.08
    DMAc 3920.35
    2-ethoxyethanol 2476.33
    isopentanol 3835.74
    n-heptane 344.11
    ethyl formate 2537.79
    1,2-dichloroethane 7005.11
    n-hexanol 3160.25
    2-methoxyethanol 4611.06
    isobutyl acetate 1684.12
    tetrachloromethane 1117.31
    n-pentyl acetate 1962.58
    transcutol 7944.49
    n-heptanol 958.19
    ethylbenzene 1141.37
    MIBK 2497.4
    2-propoxyethanol 3352.64
    tert-butanol 5326.3
    MTBE 5677.4
    2-butoxyethanol 1575.71
    propionic acid 2635.17
    o-xylene 1058.67
    formic acid 670.39
    diethyl ether 5836.85
    m-xylene 1290.24
    p-xylene 1304.24
    chlorobenzene 2757.49
    dimethyl carbonate 924.4
    n-octane 136.13
    formamide 1152.41
    cyclopentanone 6283.13
    2-pentanone 5705.97
    anisole 1860.47
    cyclopentyl methyl ether 4264.74
    gamma-butyrolactone 5394.61
    1-methoxy-2-propanol 3662.87
    pyridine 5330.05
    3-pentanone 3221.81
    furfural 3670.91
    n-dodecane 87.32
    diethylene glycol 1731.98
    diisopropyl ether 1452.14
    tert-amyl alcohol 4415.06
    acetylacetone 4143.06
    n-hexadecane 104.48
    acetophenone 1686.37
    methyl propionate 3499.3
    isopentyl acetate 3382.6
    trichloroethylene 10320.96
    n-nonanol 870.46
    cyclohexanol 3966.04
    benzyl alcohol 1504.79
    2-ethylhexanol 1779.18
    isooctanol 830.44
    dipropyl ether 2095.15
    1,2-dichlorobenzene 2174.73
    ethyl lactate 849.79
    propylene carbonate 2724.62
    n-methylformamide 3208.59
    2-pentanol 3521.21
    n-pentane 795.67
    1-propoxy-2-propanol 2724.52
    1-methoxy-2-propyl acetate 2488.92
    2-(2-methoxypropoxy) propanol 1325.99
    mesitylene 763.94
    ε-caprolactone 4763.74
    p-cymene 564.29
    epichlorohydrin 6428.06
    1,1,1-trichloroethane 5263.54
    2-aminoethanol 1498.87
    morpholine-4-carbaldehyde 3454.31
    sulfolane 5557.47
    2,2,4-trimethylpentane 282.41
    2-methyltetrahydrofuran 6610.44
    n-hexyl acetate 2531.81
    isooctane 247.74
    2-(2-butoxyethoxy)ethanol 2071.45
    sec-butyl acetate 2048.05
    tert-butyl acetate 2811.52
    decalin 460.32
    glycerin 905.07
    diglyme 3549.66
    acrylic acid 1857.79
    isopropyl myristate 784.26
    n-butyric acid 4972.57
    acetyl acetate 2262.08
    di(2-ethylhexyl) phthalate 607.87
    ethyl propionate 2521.2
    nitromethane 5672.47
    1,2-diethoxyethane 3540.24
    benzonitrile 2412.65
    trioctyl phosphate 465.12
    1-bromopropane 5151.69
    gamma-valerolactone 5817.61
    n-decanol 587.94
    triethyl phosphate 654.4
    4-methyl-2-pentanol 1479.65
    propionitrile 3820.97
    vinylene carbonate 2275.97
    1,1,2-trichlorotrifluoroethane 3538.56
    DMS 1423.21
    cumene 645.43
    2-octanol 792.71
    2-hexanone 3641.29
    octyl acetate 985.12
    limonene 1063.39
    1,2-dimethoxyethane 4621.64
    ethyl orthosilicate 674.38
    tributyl phosphate 665.56
    diacetone alcohol 2483.24
    N,N-dimethylaniline 1153.15
    acrylonitrile 4113.48
    aniline 2411.9
    1,3-propanediol 2297.76
    bromobenzene 3130.59
    dibromomethane 6320.96
    1,1,2,2-tetrachloroethane 7889.86
    2-methyl-cyclohexyl acetate 1307.67
    tetrabutyl urea 871.69
    diisobutyl methanol 837.61
    2-phenylethanol 1512.15
    styrene 1707.95
    dioctyl adipate 1003.59
    dimethyl sulfate 1290.49
    ethyl butyrate 2216.04
    methyl lactate 1106.13
    butyl lactate 1258.89
    diethyl carbonate 1168.41
    propanediol butyl ether 1549.65
    triethyl orthoformate 1154.3
    p-tert-butyltoluene 538.73
    methyl 4-tert-butylbenzoate 1064.37
    morpholine 7283.49
    tert-butylamine 3637.51
    n-dodecanol 424.91
    dimethoxymethane 3679.07
    ethylene carbonate 1985.98
    cyrene 969.6
    2-ethoxyethyl acetate 2198.79
    2-ethylhexyl acetate 2465.42
    1,2,4-trichlorobenzene 2306.06
    4-methylpyridine 5565.98
    dibutyl ether 2038.18
    2,6-dimethyl-4-heptanol 837.61
    DEF 5172.17
    dimethyl isosorbide 2008.1
    tetrachloroethylene 4548.13
    eugenol 1134.19
    triacetin 1523.65
    span 80 1372.26
    1,4-butanediol 922.57
    1,1-dichloroethane 6920.04
    2-methyl-1-pentanol 2713.92
    methyl formate 1940.62
    2-methyl-1-butanol 3616.61
    n-decane 170.45
    butyronitrile 5301.51
    3,7-dimethyl-1-octanol 1165.26
    1-chlorooctane 880.06
    1-chlorotetradecane 274.84
    n-nonane 186.67
    undecane 117.55
    tert-butylcyclohexane 408.92
    cyclooctane 317.78
    cyclopentanol 3414.82
    tetrahydropyran 7973.03
    tert-amyl methyl ether 3311.1
    2,5,8-trioxanonane 2173.64
    1-hexene 3776.18
    2-isopropoxyethanol 1950.7
    2,2,2-trifluoroethanol 654.01
    methyl butyrate 3956.02

    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