4-Hexenoic acid, 3-hexenyl ester, (Z,E)-

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  • Identifiers

    CAS number
    74638-19-0

    Molecular formula
    C12H20O2

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

    Safety labels

  • Odor profile

    Fragrance
    Green 93.4%
    Fruity 83.3%
    Tropical 71.52%
    Apple 59.55%
    Pear 57.03%
    Waxy 55.5%
    Melon 54.01%
    Fresh 51.41%
    Vegetable 49.76%
    Leafy 45.39%

     

    Flavor
    Green 77.23%
    Fruity 53.56%
    Fresh 47.71%
    Apple 45.2%
    Pear 44.17%
    Waxy 42.02%
    Tropical 39.56%
    Melon 37.33%
    Fatty 35.93%
    Grassy 35.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.03 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    235°C

    Flash point

    • 112.58 ˚C est.

  • Synonyms

    • 4-Hexenoic acid, 3-hexenyl ester, (Z,E)-
    • 74638-19-0
    • RefChem:293037
    • cis-3-hexenyl trans-4-hexenoate
    • CHEBI:172043
    • DTXSID201277335
    • [(Z)-hex-3-enyl] (E)-hex-4-enoate
    • (3Z)-HEX-3-EN-1-YL (4E)-HEX-4-ENOATE
    • 74638-19-0

  • Applications

    4-Hexenoic acid, 3-hexenyl ester, (Z,E)- (CAS 74638-19-0) is primarily used in fragrance and cosmetics as an odorant and potential fixative, and serves as an important intermediate in the synthesis of more complex aroma compounds. It is also applied in household and personal care products to impart or enhance scent, and may be used in industrial manufacturing as a precursor or functional intermediate for fragrance-related materials in coatings, inks, and related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1961.56
    methanol 2138.05
    isopropanol 1231.24
    water 0.17
    ethyl acetate 2454.42
    n-propanol 1265.71
    acetone 3285.09
    n-butanol 1296.86
    acetonitrile 1871.99
    DMF 2846.84
    toluene 1143.14
    isobutanol 1012.53
    1,4-dioxane 2381.82
    methyl acetate 1556.7
    THF 3589.82
    2-butanone 2167.16
    n-pentanol 922.0
    sec-butanol 1135.58
    n-hexane 375.1
    ethylene glycol 168.27
    NMP 2617.03
    cyclohexane 561.15
    DMSO 3814.22
    n-butyl acetate 1640.21
    n-octanol 351.86
    chloroform 4336.71
    n-propyl acetate 1291.77
    acetic acid 1496.08
    dichloromethane 4951.88
    cyclohexanone 2981.92
    propylene glycol 279.38
    isopropyl acetate 1399.45
    DMAc 2258.88
    2-ethoxyethanol 1058.93
    isopentanol 1155.82
    n-heptane 145.84
    ethyl formate 861.33
    1,2-dichloroethane 3491.2
    n-hexanol 900.42
    2-methoxyethanol 1633.03
    isobutyl acetate 767.47
    tetrachloromethane 593.07
    n-pentyl acetate 826.68
    transcutol 4501.81
    n-heptanol 310.16
    ethylbenzene 541.16
    MIBK 1099.57
    2-propoxyethanol 1284.71
    tert-butanol 1588.37
    MTBE 1986.14
    2-butoxyethanol 602.94
    propionic acid 986.41
    o-xylene 575.69
    formic acid 305.55
    diethyl ether 2632.28
    m-xylene 671.03
    p-xylene 643.62
    chlorobenzene 1356.46
    dimethyl carbonate 522.17
    n-octane 52.11
    formamide 548.09
    cyclopentanone 2903.02
    2-pentanone 2175.62
    anisole 963.82
    cyclopentyl methyl ether 2058.06
    gamma-butyrolactone 2651.61
    1-methoxy-2-propanol 1320.32
    pyridine 2447.79
    3-pentanone 1579.94
    furfural 1715.32
    n-dodecane 39.99
    diethylene glycol 742.11
    diisopropyl ether 604.88
    tert-amyl alcohol 1340.61
    acetylacetone 2002.98
    n-hexadecane 47.61
    acetophenone 886.32
    methyl propionate 1500.09
    isopentyl acetate 1316.75
    trichloroethylene 4989.49
    n-nonanol 311.5
    cyclohexanol 1443.54
    benzyl alcohol 665.79
    2-ethylhexanol 607.15
    isooctanol 280.49
    dipropyl ether 885.44
    1,2-dichlorobenzene 1139.6
    ethyl lactate 386.18
    propylene carbonate 1332.08
    n-methylformamide 1041.3
    2-pentanol 964.28
    n-pentane 261.75
    1-propoxy-2-propanol 969.22
    1-methoxy-2-propyl acetate 1168.72
    2-(2-methoxypropoxy) propanol 730.33
    mesitylene 398.04
    ε-caprolactone 2193.25
    p-cymene 277.59
    epichlorohydrin 3249.0
    1,1,1-trichloroethane 2605.8
    2-aminoethanol 472.54
    morpholine-4-carbaldehyde 1900.77
    sulfolane 3080.62
    2,2,4-trimethylpentane 130.77
    2-methyltetrahydrofuran 2956.23
    n-hexyl acetate 1110.14
    isooctane 95.73
    2-(2-butoxyethoxy)ethanol 999.87
    sec-butyl acetate 922.9
    tert-butyl acetate 1339.83
    decalin 237.69
    glycerin 364.92
    diglyme 1869.68
    acrylic acid 743.82
    isopropyl myristate 371.16
    n-butyric acid 1775.91
    acetyl acetate 1223.62
    di(2-ethylhexyl) phthalate 327.68
    ethyl propionate 1188.76
    nitromethane 2578.82
    1,2-diethoxyethane 1803.36
    benzonitrile 974.41
    trioctyl phosphate 223.07
    1-bromopropane 2336.25
    gamma-valerolactone 2722.77
    n-decanol 220.37
    triethyl phosphate 410.24
    4-methyl-2-pentanol 509.11
    propionitrile 1337.06
    vinylene carbonate 1085.5
    1,1,2-trichlorotrifluoroethane 1723.25
    DMS 865.43
    cumene 327.46
    2-octanol 248.28
    2-hexanone 1288.0
    octyl acetate 451.39
    limonene 518.46
    1,2-dimethoxyethane 1896.62
    ethyl orthosilicate 413.82
    tributyl phosphate 348.07
    diacetone alcohol 1093.04
    N,N-dimethylaniline 652.88
    acrylonitrile 1441.63
    aniline 1080.14
    1,3-propanediol 758.93
    bromobenzene 1686.76
    dibromomethane 3401.43
    1,1,2,2-tetrachloroethane 3945.82
    2-methyl-cyclohexyl acetate 712.54
    tetrabutyl urea 452.19
    diisobutyl methanol 328.02
    2-phenylethanol 654.41
    styrene 768.16
    dioctyl adipate 565.96
    dimethyl sulfate 831.36
    ethyl butyrate 1040.92
    methyl lactate 476.2
    butyl lactate 534.87
    diethyl carbonate 637.98
    propanediol butyl ether 587.46
    triethyl orthoformate 610.35
    p-tert-butyltoluene 264.74
    methyl 4-tert-butylbenzoate 615.65
    morpholine 3100.38
    tert-butylamine 1091.91
    n-dodecanol 168.45
    dimethoxymethane 1598.06
    ethylene carbonate 980.41
    cyrene 599.45
    2-ethoxyethyl acetate 1056.26
    2-ethylhexyl acetate 1039.67
    1,2,4-trichlorobenzene 1243.04
    4-methylpyridine 2372.47
    dibutyl ether 875.91
    2,6-dimethyl-4-heptanol 328.02
    DEF 2208.36
    dimethyl isosorbide 1225.72
    tetrachloroethylene 2349.29
    eugenol 589.83
    triacetin 914.27
    span 80 655.96
    1,4-butanediol 291.01
    1,1-dichloroethane 2967.22
    2-methyl-1-pentanol 890.66
    methyl formate 690.54
    2-methyl-1-butanol 1095.44
    n-decane 71.47
    butyronitrile 1583.47
    3,7-dimethyl-1-octanol 422.42
    1-chlorooctane 369.02
    1-chlorotetradecane 128.31
    n-nonane 72.09
    undecane 51.13
    tert-butylcyclohexane 191.62
    cyclooctane 139.4
    cyclopentanol 1155.9
    tetrahydropyran 3406.12
    tert-amyl methyl ether 1326.01
    2,5,8-trioxanonane 1238.09
    1-hexene 1149.67
    2-isopropoxyethanol 809.49
    2,2,2-trifluoroethanol 348.93
    methyl butyrate 1584.28

    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