(E)-2-Hexenyl 2-methyl-(E)-2-butenoate

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  • Identifiers

    Molecular formula
    C11H18O2

    SMILES
    CCC/C=C/COC(=O)/C(=C/C)/C

  • Odor profile

    Fragrance
    Green 86.54%
    Fruity 86.38%
    Herbal 54.11%
    Apple 52.52%
    Tropical 50.47%
    Fresh 48.36%
    Floral 42.74%
    Pear 42.27%
    Waxy 40.79%
    Earthy 38.5%

     

    Flavor
    Fruity 60.71%
    Green 57.43%
    Spicy 43.03%
    Herbal 41.69%
    Sweet 35.94%
    Floral 33.66%
    Tropical 30.4%
    Apple 30.27%
    Rose 29.66%
    Fatty 27.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.33 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 94.1 ˚C est.

  • Synonyms

    • (E)-2-Hexenyl tiglate
    • (E)-2-Hexenyl 2-methyl-(E)-2-butenoate
    • WE(6:1(2E)/4:1(2E)(2Me))
    • [(E)-hex-2-enyl] (E)-2-methylbut-2-enoate
    • SCHEMBL4955959
    • SCHEMBL4955964
    • CHEBI:195887
    • UEDNMMNLPZRYMI-LZIZUESTSA-N
    • LMFA07010586
    • (2E)-2-Hexenyl (2E)-2-methyl-2-butenoate
    • (2E)-2-Hexenyl (2E)-2-methyl-2-butenoate #

  • Applications

    (E)-2-Hexenyl 2-methyl-(E)-2-butenoate is an unsaturated ester primarily used as a fragrance ingredient and fixative in perfumery, providing a green, fresh odor note and helping to extend aroma longevity in formulations. It is also employed in cosmetics and personal care products as a scent component in shampoos, lotions, and body care items, aiding long-lasting fragrance. In household cleaning products, it can serve as an aroma additive to impart a fresh, clean fragrance. The material may be used as an intermediate in the synthesis of other fragrance compounds, and could be evaluated for flavor/aroma applications in food and beverages under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4787.46
    methanol 5030.73
    isopropanol 3543.62
    water 0.41
    ethyl acetate 6915.44
    n-propanol 3852.09
    acetone 8402.15
    n-butanol 3849.44
    acetonitrile 6641.93
    DMF 6688.89
    toluene 2729.38
    isobutanol 3375.4
    1,4-dioxane 5173.78
    methyl acetate 4897.78
    THF 5610.65
    2-butanone 6640.98
    n-pentanol 2512.38
    sec-butanol 4072.76
    n-hexane 944.62
    ethylene glycol 279.81
    NMP 4444.76
    cyclohexane 1310.23
    DMSO 4662.86
    n-butyl acetate 4574.57
    n-octanol 1101.85
    chloroform 9869.97
    n-propyl acetate 3749.57
    acetic acid 3977.35
    dichloromethane 9919.75
    cyclohexanone 7117.47
    propylene glycol 571.77
    isopropyl acetate 3778.2
    DMAc 4334.19
    2-ethoxyethanol 2502.86
    isopentanol 3751.58
    n-heptane 259.97
    ethyl formate 2589.5
    1,2-dichloroethane 7613.35
    n-hexanol 2630.16
    2-methoxyethanol 3694.51
    isobutyl acetate 1964.91
    tetrachloromethane 1532.37
    n-pentyl acetate 2194.37
    transcutol 8849.56
    n-heptanol 1019.33
    ethylbenzene 1442.94
    MIBK 2679.06
    2-propoxyethanol 2863.13
    tert-butanol 5053.14
    MTBE 7084.71
    2-butoxyethanol 1563.76
    propionic acid 2845.48
    o-xylene 1378.03
    formic acid 721.02
    diethyl ether 7161.08
    m-xylene 1597.41
    p-xylene 1815.43
    chlorobenzene 3404.08
    dimethyl carbonate 1105.57
    n-octane 143.25
    formamide 1569.71
    cyclopentanone 6105.23
    2-pentanone 5737.77
    anisole 2560.01
    cyclopentyl methyl ether 4035.68
    gamma-butyrolactone 5776.51
    1-methoxy-2-propanol 2921.93
    pyridine 6046.5
    3-pentanone 4114.07
    furfural 3813.01
    n-dodecane 101.78
    diethylene glycol 1304.91
    diisopropyl ether 1730.58
    tert-amyl alcohol 5073.02
    acetylacetone 4291.98
    n-hexadecane 121.66
    acetophenone 2206.74
    methyl propionate 4015.14
    isopentyl acetate 3529.21
    trichloroethylene 12764.99
    n-nonanol 925.51
    cyclohexanol 3660.19
    benzyl alcohol 1632.87
    2-ethylhexanol 1570.37
    isooctanol 937.47
    dipropyl ether 1775.24
    1,2-dichlorobenzene 2760.41
    ethyl lactate 855.8
    propylene carbonate 2965.94
    n-methylformamide 3029.95
    2-pentanol 3358.87
    n-pentane 719.26
    1-propoxy-2-propanol 2185.13
    1-methoxy-2-propyl acetate 2557.97
    2-(2-methoxypropoxy) propanol 1360.64
    mesitylene 938.94
    ε-caprolactone 5421.41
    p-cymene 631.89
    epichlorohydrin 7143.25
    1,1,1-trichloroethane 7195.86
    2-aminoethanol 1004.72
    morpholine-4-carbaldehyde 3544.92
    sulfolane 4906.0
    2,2,4-trimethylpentane 366.64
    2-methyltetrahydrofuran 6090.58
    n-hexyl acetate 2864.15
    isooctane 300.98
    2-(2-butoxyethoxy)ethanol 2092.84
    sec-butyl acetate 2496.29
    tert-butyl acetate 3341.88
    decalin 500.31
    glycerin 609.88
    diglyme 3616.77
    acrylic acid 2044.26
    isopropyl myristate 849.25
    n-butyric acid 4714.32
    acetyl acetate 2890.32
    di(2-ethylhexyl) phthalate 640.56
    ethyl propionate 3021.04
    nitromethane 6625.05
    1,2-diethoxyethane 4066.16
    benzonitrile 2824.58
    trioctyl phosphate 480.82
    1-bromopropane 5515.85
    gamma-valerolactone 5609.06
    n-decanol 633.39
    triethyl phosphate 709.49
    4-methyl-2-pentanol 1538.22
    propionitrile 4607.19
    vinylene carbonate 2688.91
    1,1,2-trichlorotrifluoroethane 3327.08
    DMS 1783.11
    cumene 847.47
    2-octanol 894.67
    2-hexanone 3463.93
    octyl acetate 1094.74
    limonene 1039.83
    1,2-dimethoxyethane 4602.58
    ethyl orthosilicate 739.56
    tributyl phosphate 717.41
    diacetone alcohol 2556.2
    N,N-dimethylaniline 1447.63
    acrylonitrile 4809.49
    aniline 2663.06
    1,3-propanediol 1820.28
    bromobenzene 3955.25
    dibromomethane 7289.68
    1,1,2,2-tetrachloroethane 9603.43
    2-methyl-cyclohexyl acetate 1418.8
    tetrabutyl urea 859.84
    diisobutyl methanol 798.24
    2-phenylethanol 1581.14
    styrene 2006.6
    dioctyl adipate 1013.82
    dimethyl sulfate 1440.83
    ethyl butyrate 2379.88
    methyl lactate 952.45
    butyl lactate 1232.09
    diethyl carbonate 1379.34
    propanediol butyl ether 1372.7
    triethyl orthoformate 1217.07
    p-tert-butyltoluene 601.6
    methyl 4-tert-butylbenzoate 1257.34
    morpholine 6901.7
    tert-butylamine 3643.67
    n-dodecanol 455.61
    dimethoxymethane 3401.09
    ethylene carbonate 2317.02
    cyrene 1078.52
    2-ethoxyethyl acetate 2563.01
    2-ethylhexyl acetate 2681.6
    1,2,4-trichlorobenzene 2826.0
    4-methylpyridine 6554.78
    dibutyl ether 2015.68
    2,6-dimethyl-4-heptanol 798.24
    DEF 5626.18
    dimethyl isosorbide 2126.08
    tetrachloroethylene 5602.56
    eugenol 1309.68
    triacetin 1670.73
    span 80 1332.71
    1,4-butanediol 691.97
    1,1-dichloroethane 8843.6
    2-methyl-1-pentanol 2663.21
    methyl formate 1921.84
    2-methyl-1-butanol 3792.25
    n-decane 189.18
    butyronitrile 5379.7
    3,7-dimethyl-1-octanol 1205.36
    1-chlorooctane 942.67
    1-chlorotetradecane 317.46
    n-nonane 191.63
    undecane 132.3
    tert-butylcyclohexane 460.95
    cyclooctane 311.75
    cyclopentanol 2605.1
    tetrahydropyran 7626.59
    tert-amyl methyl ether 4307.09
    2,5,8-trioxanonane 2107.71
    1-hexene 2958.6
    2-isopropoxyethanol 1984.55
    2,2,2-trifluoroethanol 871.12
    methyl butyrate 4311.97

    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