Hex-2-en-1-yl propanoate

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  • Identifiers

    Molecular formula
    C9H16O2

    SMILES
    CCCC=CCOC(=O)CC

  • Odor profile

    Fruity 94.73%
    Green 90.45%
    Apple 71.34%
    Tropical 68.4%
    Pear 62.44%
    Fresh 59.1%
    Pineapple 59.03%
    Sweet 58.18%
    Waxy 57.38%
    Banana 57.02%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    193°C

    Flash point est.
    71.26 ˚C

  • Synonyms

    • 2-hexen-1-ol propanoate
    • hex-2-en-1-yl propanoate
    • (E)-2-hexen-1-yl propionate
    • DTXSID70866317

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3668.44
    methanol 4200.25
    isopropanol 2623.19
    water 0.65
    ethyl acetate 3267.31
    n-propanol 2394.23
    acetone 5016.06
    n-butanol 2308.76
    acetonitrile 3524.1
    DMF 4287.55
    toluene 1296.21
    isobutanol 1921.46
    1,4-dioxane 3293.29
    methyl acetate 2425.51
    THF 4142.88
    2-butanone 3290.33
    n-pentanol 1801.89
    sec-butanol 2294.73
    n-hexane 689.71
    ethylene glycol 394.29
    NMP 3269.44
    cyclohexane 689.46
    DMSO 4827.04
    n-butyl acetate 2637.63
    n-octanol 789.59
    chloroform 5528.88
    n-propyl acetate 2043.34
    acetic acid 3272.91
    dichloromethane 5558.3
    cyclohexanone 3717.76
    propylene glycol 597.78
    isopropyl acetate 1952.34
    DMAc 2990.18
    2-ethoxyethanol 1815.98
    isopentanol 2248.94
    n-heptane 233.14
    ethyl formate 1497.35
    1,2-dichloroethane 3704.88
    n-hexanol 1715.32
    2-methoxyethanol 2730.19
    isobutyl acetate 1195.88
    tetrachloromethane 920.11
    n-pentyl acetate 1347.45
    transcutol 6708.24
    n-heptanol 642.49
    ethylbenzene 800.32
    MIBK 1526.72
    2-propoxyethanol 2149.43
    tert-butanol 3355.82
    MTBE 3308.6
    2-butoxyethanol 1048.22
    propionic acid 1924.51
    o-xylene 740.83
    formic acid 731.22
    diethyl ether 3489.73
    m-xylene 853.29
    p-xylene 995.31
    chlorobenzene 1700.93
    dimethyl carbonate 644.27
    n-octane 103.25
    formamide 1105.48
    cyclopentanone 3520.62
    2-pentanone 2941.57
    anisole 1414.62
    cyclopentyl methyl ether 2401.22
    gamma-butyrolactone 3509.75
    1-methoxy-2-propanol 2174.23
    pyridine 3236.27
    3-pentanone 1921.3
    furfural 2466.52
    n-dodecane 77.18
    diethylene glycol 1238.59
    diisopropyl ether 881.61
    tert-amyl alcohol 2855.51
    acetylacetone 2541.06
    n-hexadecane 89.83
    acetophenone 1292.97
    methyl propionate 1894.88
    isopentyl acetate 2006.19
    trichloroethylene 5925.89
    n-nonanol 654.37
    cyclohexanol 2207.65
    benzyl alcohol 1055.51
    2-ethylhexanol 1059.66
    isooctanol 555.79
    dipropyl ether 1220.02
    1,2-dichlorobenzene 1396.83
    ethyl lactate 597.28
    propylene carbonate 1818.05
    n-methylformamide 1884.9
    2-pentanol 1851.04
    n-pentane 439.03
    1-propoxy-2-propanol 1622.13
    1-methoxy-2-propyl acetate 1593.26
    2-(2-methoxypropoxy) propanol 1113.95
    mesitylene 545.76
    ε-caprolactone 2927.75
    p-cymene 409.41
    epichlorohydrin 3818.29
    1,1,1-trichloroethane 3347.26
    2-aminoethanol 963.71
    morpholine-4-carbaldehyde 2661.14
    sulfolane 3801.66
    2,2,4-trimethylpentane 225.49
    2-methyltetrahydrofuran 3687.48
    n-hexyl acetate 1794.09
    isooctane 171.41
    2-(2-butoxyethoxy)ethanol 1589.6
    sec-butyl acetate 1390.25
    tert-butyl acetate 1858.32
    decalin 333.45
    glycerin 712.53
    diglyme 2584.28
    acrylic acid 1511.39
    isopropyl myristate 567.92
    n-butyric acid 3109.67
    acetyl acetate 1616.28
    di(2-ethylhexyl) phthalate 512.5
    ethyl propionate 1620.16
    nitromethane 4334.82
    1,2-diethoxyethane 2607.04
    benzonitrile 1624.14
    trioctyl phosphate 359.6
    1-bromopropane 2821.74
    gamma-valerolactone 3469.54
    n-decanol 447.77
    triethyl phosphate 533.46
    4-methyl-2-pentanol 931.71
    propionitrile 2375.51
    vinylene carbonate 1591.9
    1,1,2-trichlorotrifluoroethane 2442.67
    DMS 1125.47
    cumene 495.15
    2-octanol 553.91
    2-hexanone 2106.17
    octyl acetate 729.75
    limonene 700.74
    1,2-dimethoxyethane 3119.07
    ethyl orthosilicate 554.65
    tributyl phosphate 546.59
    diacetone alcohol 1647.87
    N,N-dimethylaniline 922.97
    acrylonitrile 2631.68
    aniline 1507.34
    1,3-propanediol 1478.98
    bromobenzene 1971.47
    dibromomethane 4046.38
    1,1,2,2-tetrachloroethane 4929.3
    2-methyl-cyclohexyl acetate 956.38
    tetrabutyl urea 667.13
    diisobutyl methanol 544.02
    2-phenylethanol 1027.95
    styrene 1119.06
    dioctyl adipate 798.55
    dimethyl sulfate 1008.73
    ethyl butyrate 1417.64
    methyl lactate 698.33
    butyl lactate 879.48
    diethyl carbonate 857.77
    propanediol butyl ether 1131.86
    triethyl orthoformate 835.86
    p-tert-butyltoluene 384.82
    methyl 4-tert-butylbenzoate 869.64
    morpholine 4202.05
    tert-butylamine 2395.08
    n-dodecanol 327.63
    dimethoxymethane 1965.76
    ethylene carbonate 1341.16
    cyrene 864.68
    2-ethoxyethyl acetate 1549.66
    2-ethylhexyl acetate 1544.64
    1,2,4-trichlorobenzene 1515.98
    4-methylpyridine 3383.27
    dibutyl ether 1373.55
    2,6-dimethyl-4-heptanol 544.02
    DEF 3087.52
    dimethyl isosorbide 1593.09
    tetrachloroethylene 3025.03
    eugenol 922.87
    triacetin 1275.1
    span 80 1041.19
    1,4-butanediol 640.28
    1,1-dichloroethane 3956.52
    2-methyl-1-pentanol 1754.12
    methyl formate 1255.61
    2-methyl-1-butanol 2022.18
    n-decane 136.89
    butyronitrile 2862.8
    3,7-dimethyl-1-octanol 806.82
    1-chlorooctane 616.62
    1-chlorotetradecane 214.68
    n-nonane 144.46
    undecane 98.24
    tert-butylcyclohexane 311.36
    cyclooctane 178.0
    cyclopentanol 1928.47
    tetrahydropyran 4218.62
    tert-amyl methyl ether 2092.84
    2,5,8-trioxanonane 1702.91
    1-hexene 2012.82
    2-isopropoxyethanol 1439.34
    2,2,2-trifluoroethanol 710.93
    methyl butyrate 2414.36

    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