Ethyl 5-hexenoate

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  • Identifiers

    CAS number
    54653-25-7

    Molecular formula
    C8H14O2

    SMILES
    CCOC(=O)CCCC=C

  • Odor profile

    Fragrance
    Fruity 90.81%
    Pineapple 65.92%
    Green 59.26%
    Sweet 51.01%
    Tropical 45.4%
    Apple 41.54%
    Winey 40.77%
    Ethereal 36.81%
    Waxy 36.62%
    Pear 35.07%

     

    Flavor
    Fruity 85.31%
    Pineapple 58.54%
    Tropical 40.94%
    Apple 35.08%
    Fruit 31.92%
    Green 30.75%
    Pear 30.75%
    Sweet 29.19%
    Fresh 29.14%
    Cognac 28.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.89 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 181.00 to 182.00 °C. @ 760.00 mm Hg

    Flash point

    • 54.8 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in most non-polar solvents
    • soluble (in ethanol)

  • Synonyms

    • Ethyl 5-hexenoate
    • ethyl hex-5-enoate
    • 54653-25-7
    • Ethyl-5-hexenoate
    • 5-Hexenoic acid, ethyl ester
    • FEMA No. 3976
    • Ethyl 5-hexenoate [FIFH]
    • HK3B97IJ51
    • Hex-5-enoic acid, ethyl ester
    • 5-(ethoxycarbonyl)-1-pentene
    • CHEBI:87299
    • DTXSID60203111
    • ETHYL 5-HEXENOATE [FHFI]
    • Ethyl 5-hexenoate (FIFH)
    • MFCD00671844
    • 5-Hexenoic acid ethyl ester
    • UNII-HK3B97IJ51
    • Ethyl5-hexenoate
    • SCHEMBL167032
    • DTXCID60125602
    • AKOS016016647
    • DB-370512
    • NS00022354
    • Q27159504
    • 611-180-0

  • Applications

    Ethyl 5-hexenoate (CAS 54653-25-7) is an unsaturated ester featuring a terminal vinyl group in its chain, commonly used as a fragrance ingredient and a synthetic intermediate in flavor and cosmetic chemistry. Its vinyl functionality enables further modification and makes it suitable as a reactive monomer or crosslinkable component in coatings, inks, and adhesive formulations, as well as in polymer systems such as unsaturated polyesters. In perfumery and personal care, it can contribute fresh or green scent notes and serves as a building block for more complex aroma compounds. In industrial manufacturing, it is used as an intermediate to prepare specialty chemicals and as a precursor for polymerizable esters. It may be employed as a reactive diluent in UV-curable coatings and as a practical monomer for copolymerization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2016.11
    methanol 2487.07
    isopropanol 1416.2
    water 2.07
    ethyl acetate 1230.2
    n-propanol 1381.58
    acetone 1827.05
    n-butanol 1332.0
    acetonitrile 1471.36
    DMF 2208.75
    toluene 470.1
    isobutanol 1009.81
    1,4-dioxane 1691.86
    methyl acetate 986.66
    THF 2289.72
    2-butanone 1188.5
    n-pentanol 972.9
    sec-butanol 1285.94
    n-hexane 319.18
    ethylene glycol 303.73
    NMP 1999.32
    cyclohexane 410.98
    DMSO 2112.08
    n-butyl acetate 939.57
    n-octanol 474.54
    chloroform 2452.9
    n-propyl acetate 687.57
    acetic acid 2186.48
    dichloromethane 2359.52
    cyclohexanone 1782.12
    propylene glycol 399.99
    isopropyl acetate 699.72
    DMAc 1553.8
    2-ethoxyethanol 917.17
    isopentanol 987.51
    n-heptane 132.87
    ethyl formate 720.88
    1,2-dichloroethane 1392.41
    n-hexanol 960.58
    2-methoxyethanol 1487.82
    isobutyl acetate 403.49
    tetrachloromethane 326.83
    n-pentyl acetate 565.46
    transcutol 2827.26
    n-heptanol 328.89
    ethylbenzene 313.79
    MIBK 555.88
    2-propoxyethanol 1111.61
    tert-butanol 1598.96
    MTBE 1073.5
    2-butoxyethanol 507.2
    propionic acid 1188.24
    o-xylene 330.37
    formic acid 539.84
    diethyl ether 1317.35
    m-xylene 340.31
    p-xylene 411.64
    chlorobenzene 780.99
    dimethyl carbonate 277.68
    n-octane 57.77
    formamide 623.76
    cyclopentanone 1724.37
    2-pentanone 1054.79
    anisole 569.28
    cyclopentyl methyl ether 1106.89
    gamma-butyrolactone 1862.52
    1-methoxy-2-propanol 1120.01
    pyridine 1382.76
    3-pentanone 738.09
    furfural 1364.81
    n-dodecane 48.07
    diethylene glycol 707.47
    diisopropyl ether 318.35
    tert-amyl alcohol 1290.57
    acetylacetone 931.82
    n-hexadecane 54.66
    acetophenone 533.79
    methyl propionate 770.18
    isopentyl acetate 736.04
    trichloroethylene 2344.39
    n-nonanol 388.56
    cyclohexanol 1248.2
    benzyl alcohol 519.35
    2-ethylhexanol 506.38
    isooctanol 268.16
    dipropyl ether 546.9
    1,2-dichlorobenzene 638.78
    ethyl lactate 285.11
    propylene carbonate 960.44
    n-methylformamide 1008.98
    2-pentanol 922.78
    n-pentane 245.31
    1-propoxy-2-propanol 788.57
    1-methoxy-2-propyl acetate 658.89
    2-(2-methoxypropoxy) propanol 593.56
    mesitylene 226.66
    ε-caprolactone 1452.38
    p-cymene 193.38
    epichlorohydrin 1763.87
    1,1,1-trichloroethane 1218.01
    2-aminoethanol 630.44
    morpholine-4-carbaldehyde 1482.28
    sulfolane 1980.82
    2,2,4-trimethylpentane 103.4
    2-methyltetrahydrofuran 1868.48
    n-hexyl acetate 893.69
    isooctane 74.11
    2-(2-butoxyethoxy)ethanol 815.89
    sec-butyl acetate 449.86
    tert-butyl acetate 684.29
    decalin 154.95
    glycerin 496.64
    diglyme 1213.16
    acrylic acid 967.39
    isopropyl myristate 287.65
    n-butyric acid 1640.14
    acetyl acetate 657.83
    di(2-ethylhexyl) phthalate 280.12
    ethyl propionate 584.46
    nitromethane 2205.13
    1,2-diethoxyethane 992.78
    benzonitrile 772.05
    trioctyl phosphate 202.32
    1-bromopropane 1083.79
    gamma-valerolactone 1876.0
    n-decanol 271.34
    triethyl phosphate 248.22
    4-methyl-2-pentanol 404.83
    propionitrile 1075.16
    vinylene carbonate 885.52
    1,1,2-trichlorotrifluoroethane 1096.46
    DMS 508.5
    cumene 215.21
    2-octanol 281.96
    2-hexanone 750.12
    octyl acetate 391.71
    limonene 344.96
    1,2-dimethoxyethane 1472.5
    ethyl orthosilicate 248.43
    tributyl phosphate 282.44
    diacetone alcohol 688.9
    N,N-dimethylaniline 390.53
    acrylonitrile 1169.97
    aniline 632.45
    1,3-propanediol 850.79
    bromobenzene 835.12
    dibromomethane 1648.16
    1,1,2,2-tetrachloroethane 1870.41
    2-methyl-cyclohexyl acetate 457.77
    tetrabutyl urea 364.24
    diisobutyl methanol 254.97
    2-phenylethanol 478.54
    styrene 427.36
    dioctyl adipate 429.18
    dimethyl sulfate 467.02
    ethyl butyrate 547.45
    methyl lactate 382.67
    butyl lactate 398.46
    diethyl carbonate 368.36
    propanediol butyl ether 592.22
    triethyl orthoformate 362.88
    p-tert-butyltoluene 181.94
    methyl 4-tert-butylbenzoate 443.72
    morpholine 2001.12
    tert-butylamine 1031.19
    n-dodecanol 202.06
    dimethoxymethane 969.81
    ethylene carbonate 744.92
    cyrene 475.9
    2-ethoxyethyl acetate 652.04
    2-ethylhexyl acetate 552.53
    1,2,4-trichlorobenzene 695.1
    4-methylpyridine 1432.23
    dibutyl ether 633.39
    2,6-dimethyl-4-heptanol 254.97
    DEF 1260.27
    dimethyl isosorbide 834.74
    tetrachloroethylene 1176.91
    eugenol 451.51
    triacetin 646.1
    span 80 583.59
    1,4-butanediol 379.9
    1,1-dichloroethane 1519.14
    2-methyl-1-pentanol 783.6
    methyl formate 698.46
    2-methyl-1-butanol 966.98
    n-decane 83.88
    butyronitrile 1358.11
    3,7-dimethyl-1-octanol 438.25
    1-chlorooctane 318.73
    1-chlorotetradecane 119.51
    n-nonane 88.57
    undecane 60.8
    tert-butylcyclohexane 140.42
    cyclooctane 97.86
    cyclopentanol 1242.75
    tetrahydropyran 2001.2
    tert-amyl methyl ether 780.59
    2,5,8-trioxanonane 905.43
    1-hexene 870.57
    2-isopropoxyethanol 638.3
    2,2,2-trifluoroethanol 449.97
    methyl butyrate 853.12

    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