(E)-Hex-3-enyl propionate

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  • Identifiers

    CAS number
    53398-81-5

    Molecular formula
    C9H16O2

    SMILES
    CC/C=C/CCOC(=O)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 94.75%
    Fruity 92.47%
    Apple 72.68%
    Sweet 71.99%
    Tropical 68.72%
    Fresh 68.67%
    Pear 59.85%
    Banana 56.43%
    Waxy 55.18%
    Melon 54.83%

     

    Flavor
    Fruity 84.69%
    Green 82.59%
    Apple 72.74%
    Fresh 62.62%
    Pear 57.98%
    Waxy 46.53%
    Tropical 44.73%
    Sweet 43.89%
    Banana 43.31%
    Pineapple 38.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.63 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    189°C

    Flash point

    • 68.94 ˚C est.

  • Synonyms

    • (E)-Hex-3-enyl propionate
    • 53398-81-5
    • [(E)-hex-3-enyl] propanoate
    • 3-Hexenyl propionate, (3E)-
    • NZ4EH67031
    • EINECS 258-514-8
    • UNII-NZ4EH67031
    • e-3-hexenyl propanoate
    • (3E)-3-hexenyl propionate
    • Hex-trans-3-enyl propionate
    • SCHEMBL2774150
    • (E)-3-Hexen-1-ol, propanoate
    • DTXSID201037426
    • TRANS-3-HEXENYL PROPANOATE
    • TRANS-3-HEXENYL PROPIONATE
    • AKOS015903009
    • Propanoic acid, (E)-3-hexenyl ester
    • LS-13684
    • DB-247245
    • NS00090030
    • 3-HEXEN-1-OL, 1-PROPANOATE, (3E)-
    • Q27285114
    • 53398-81-5

  • Applications

    (E)-Hex-3-enyl propionate, CAS 53398-81-5, is an ester used as a fragrance ingredient in perfumery and cosmetics/personal care, providing character notes in fragrances and personal care formulations; it may also be used as a flavor ingredient or flavor precursor in certain food applications where permitted, and serves as a fragrance additive in household products such as cleaners and detergents. In industrial contexts it can function as an intermediate for fragrance synthesis and as a scent component in coatings, inks, and adhesives, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2269.96
    methanol 2484.57
    isopropanol 1844.14
    water 0.66
    ethyl acetate 2601.44
    n-propanol 1669.81
    acetone 3959.0
    n-butanol 1763.61
    acetonitrile 3010.62
    DMF 3838.54
    toluene 1305.96
    isobutanol 1470.16
    1,4-dioxane 3031.2
    methyl acetate 2091.7
    THF 3809.35
    2-butanone 2851.84
    n-pentanol 1460.7
    sec-butanol 1745.54
    n-hexane 835.15
    ethylene glycol 276.49
    NMP 3472.0
    cyclohexane 761.9
    DMSO 4259.52
    n-butyl acetate 2223.38
    n-octanol 758.5
    chloroform 5335.72
    n-propyl acetate 1839.19
    acetic acid 2489.07
    dichloromethane 5274.19
    cyclohexanone 3544.25
    propylene glycol 418.22
    isopropyl acetate 1662.14
    DMAc 3040.62
    2-ethoxyethanol 1579.09
    isopentanol 1762.36
    n-heptane 282.97
    ethyl formate 1197.28
    1,2-dichloroethane 3493.71
    n-hexanol 1376.69
    2-methoxyethanol 2193.97
    isobutyl acetate 1108.9
    tetrachloromethane 968.27
    n-pentyl acetate 1307.13
    transcutol 6012.4
    n-heptanol 560.66
    ethylbenzene 864.12
    MIBK 1428.65
    2-propoxyethanol 1815.0
    tert-butanol 2527.42
    MTBE 2871.98
    2-butoxyethanol 956.19
    propionic acid 1663.7
    o-xylene 799.9
    formic acid 557.86
    diethyl ether 3041.0
    m-xylene 887.03
    p-xylene 1091.61
    chlorobenzene 1723.02
    dimethyl carbonate 642.95
    n-octane 124.95
    formamide 872.81
    cyclopentanone 3571.37
    2-pentanone 2542.69
    anisole 1484.53
    cyclopentyl methyl ether 2395.16
    gamma-butyrolactone 3402.03
    1-methoxy-2-propanol 1738.46
    pyridine 3032.06
    3-pentanone 1898.75
    furfural 2415.62
    n-dodecane 91.71
    diethylene glycol 1018.14
    diisopropyl ether 860.87
    tert-amyl alcohol 2269.52
    acetylacetone 2307.36
    n-hexadecane 106.86
    acetophenone 1333.9
    methyl propionate 1720.56
    isopentyl acetate 1848.19
    trichloroethylene 5674.43
    n-nonanol 631.37
    cyclohexanol 1878.96
    benzyl alcohol 1011.4
    2-ethylhexanol 937.48
    isooctanol 507.56
    dipropyl ether 1225.81
    1,2-dichlorobenzene 1530.24
    ethyl lactate 559.57
    propylene carbonate 1748.82
    n-methylformamide 1594.4
    2-pentanol 1476.3
    n-pentane 465.22
    1-propoxy-2-propanol 1415.68
    1-methoxy-2-propyl acetate 1454.37
    2-(2-methoxypropoxy) propanol 1091.81
    mesitylene 589.52
    ε-caprolactone 2732.7
    p-cymene 445.19
    epichlorohydrin 3630.4
    1,1,1-trichloroethane 3283.48
    2-aminoethanol 691.28
    morpholine-4-carbaldehyde 2687.99
    sulfolane 4077.94
    2,2,4-trimethylpentane 259.07
    2-methyltetrahydrofuran 3473.18
    n-hexyl acetate 1808.66
    isooctane 187.06
    2-(2-butoxyethoxy)ethanol 1487.14
    sec-butyl acetate 1259.59
    tert-butyl acetate 1750.93
    decalin 395.97
    glycerin 551.58
    diglyme 2477.68
    acrylic acid 1316.48
    isopropyl myristate 606.6
    n-butyric acid 2413.89
    acetyl acetate 1460.81
    di(2-ethylhexyl) phthalate 525.81
    ethyl propionate 1576.92
    nitromethane 3675.94
    1,2-diethoxyethane 2429.94
    benzonitrile 1634.81
    trioctyl phosphate 375.44
    1-bromopropane 2740.33
    gamma-valerolactone 3356.46
    n-decanol 442.6
    triethyl phosphate 552.57
    4-methyl-2-pentanol 779.93
    propionitrile 2170.77
    vinylene carbonate 1536.46
    1,1,2-trichlorotrifluoroethane 2240.96
    DMS 1189.86
    cumene 554.93
    2-octanol 512.69
    2-hexanone 1972.49
    octyl acetate 754.14
    limonene 758.52
    1,2-dimethoxyethane 2838.61
    ethyl orthosilicate 583.23
    tributyl phosphate 579.59
    diacetone alcohol 1508.38
    N,N-dimethylaniline 1024.13
    acrylonitrile 2471.02
    aniline 1389.42
    1,3-propanediol 1124.17
    bromobenzene 2099.61
    dibromomethane 3945.18
    1,1,2,2-tetrachloroethane 4832.45
    2-methyl-cyclohexyl acetate 958.47
    tetrabutyl urea 718.73
    diisobutyl methanol 516.47
    2-phenylethanol 932.85
    styrene 1168.87
    dioctyl adipate 852.03
    dimethyl sulfate 1083.56
    ethyl butyrate 1341.29
    methyl lactate 624.49
    butyl lactate 860.48
    diethyl carbonate 855.19
    propanediol butyl ether 973.1
    triethyl orthoformate 856.47
    p-tert-butyltoluene 418.06
    methyl 4-tert-butylbenzoate 925.02
    morpholine 3588.68
    tert-butylamine 1935.44
    n-dodecanol 334.99
    dimethoxymethane 1745.28
    ethylene carbonate 1312.82
    cyrene 876.96
    2-ethoxyethyl acetate 1482.91
    2-ethylhexyl acetate 1467.66
    1,2,4-trichlorobenzene 1636.61
    4-methylpyridine 3223.43
    dibutyl ether 1430.59
    2,6-dimethyl-4-heptanol 516.47
    DEF 3027.0
    dimethyl isosorbide 1624.13
    tetrachloroethylene 3005.92
    eugenol 923.49
    triacetin 1295.95
    span 80 995.43
    1,4-butanediol 486.63
    1,1-dichloroethane 3753.95
    2-methyl-1-pentanol 1474.75
    methyl formate 1041.95
    2-methyl-1-butanol 1668.27
    n-decane 163.29
    butyronitrile 2441.04
    3,7-dimethyl-1-octanol 800.99
    1-chlorooctane 666.17
    1-chlorotetradecane 241.83
    n-nonane 173.75
    undecane 117.82
    tert-butylcyclohexane 370.04
    cyclooctane 223.33
    cyclopentanol 1698.74
    tetrahydropyran 3737.32
    tert-amyl methyl ether 2017.6
    2,5,8-trioxanonane 1639.22
    1-hexene 2003.12
    2-isopropoxyethanol 1287.7
    2,2,2-trifluoroethanol 623.22
    methyl butyrate 2221.75

    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