(Z)-hex-3-enyl isobutyrate

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  • Identifiers

    CAS number
    57859-47-9

    Molecular formula
    C10H18O2

    SMILES
    CCC=CCCOC(=O)C(C)C

  • Odor profile

    Fruity 94.92%
    Green 94.62%
    Apple 76.91%
    Tropical 74.6%
    Sweet 72.58%
    Fresh 63.89%
    Pear 60.78%
    Banana 55.29%
    Pineapple 53.26%
    Melon 52.63%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    197°C

    Flash point est.
    71.42 ˚C

  • Synonyms

    • Hex-3-enyl isobutyrate
    • Hex-3-en-1-yl 2-methylpropanoate
    • hex-3-enyl 2-methylpropanoate
    • 57859-47-9
    • (3Z)-hexenyl isobutanoate
    • (Z)-3-Hexenyl isobutyrate
    • (Z)-Hex-3-enyl isobutyrate
    • (E)-3-hexen-1-yl isobutyrate
    • DTXSID5047586
    • OSMAJVWUIUORGC-UHFFFAOYSA-N
    • AKOS025243527
    • DB-254911
    • NS00087284
    • 260-993-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2969.37
    methanol 3022.73
    isopropanol 2736.2
    water 0.99
    ethyl acetate 3598.83
    n-propanol 2384.64
    acetone 4741.48
    n-butanol 2589.92
    acetonitrile 3685.96
    DMF 3934.25
    toluene 1678.15
    isobutanol 2375.76
    1,4-dioxane 3576.22
    methyl acetate 2743.31
    THF 4301.92
    2-butanone 3690.16
    n-pentanol 2181.21
    sec-butanol 2836.05
    n-hexane 1408.09
    ethylene glycol 275.28
    NMP 3470.26
    cyclohexane 1180.86
    DMSO 3296.14
    n-butyl acetate 3743.55
    n-octanol 1348.9
    chloroform 7651.73
    n-propyl acetate 2785.1
    acetic acid 2874.51
    dichloromethane 6788.21
    cyclohexanone 4369.96
    propylene glycol 495.09
    isopropyl acetate 2511.37
    DMAc 3357.91
    2-ethoxyethanol 2184.51
    isopentanol 2891.57
    n-heptane 465.9
    ethyl formate 1851.39
    1,2-dichloroethane 4473.18
    n-hexanol 2305.7
    2-methoxyethanol 2607.95
    isobutyl acetate 1785.2
    tetrachloromethane 1701.47
    n-pentyl acetate 2103.59
    transcutol 7085.98
    n-heptanol 1104.89
    ethylbenzene 1308.06
    MIBK 2196.94
    2-propoxyethanol 2565.85
    tert-butanol 4052.34
    MTBE 5041.7
    2-butoxyethanol 1562.98
    propionic acid 1934.91
    o-xylene 1223.45
    formic acid 628.93
    diethyl ether 4048.1
    m-xylene 1309.56
    p-xylene 1785.69
    chlorobenzene 2409.91
    dimethyl carbonate 794.28
    n-octane 239.64
    formamide 957.44
    cyclopentanone 4072.0
    2-pentanone 3442.5
    anisole 2024.4
    cyclopentyl methyl ether 2853.81
    gamma-butyrolactone 4031.06
    1-methoxy-2-propanol 2194.05
    pyridine 3180.11
    3-pentanone 2504.44
    furfural 3014.73
    n-dodecane 160.08
    diethylene glycol 1278.84
    diisopropyl ether 1523.45
    tert-amyl alcohol 3910.47
    acetylacetone 2902.35
    n-hexadecane 185.29
    acetophenone 1883.02
    methyl propionate 2149.99
    isopentyl acetate 3241.16
    trichloroethylene 7573.99
    n-nonanol 1092.13
    cyclohexanol 2655.58
    benzyl alcohol 1373.32
    2-ethylhexanol 1621.05
    isooctanol 1030.32
    dipropyl ether 1892.11
    1,2-dichlorobenzene 2195.43
    ethyl lactate 806.75
    propylene carbonate 2344.46
    n-methylformamide 1732.47
    2-pentanol 2456.52
    n-pentane 801.77
    1-propoxy-2-propanol 2058.07
    1-methoxy-2-propyl acetate 2190.84
    2-(2-methoxypropoxy) propanol 1435.99
    mesitylene 893.53
    ε-caprolactone 3559.84
    p-cymene 728.98
    epichlorohydrin 4345.08
    1,1,1-trichloroethane 5043.92
    2-aminoethanol 797.34
    morpholine-4-carbaldehyde 3021.91
    sulfolane 3913.1
    2,2,4-trimethylpentane 479.78
    2-methyltetrahydrofuran 4295.58
    n-hexyl acetate 2858.95
    isooctane 368.19
    2-(2-butoxyethoxy)ethanol 1976.71
    sec-butyl acetate 2093.32
    tert-butyl acetate 2748.9
    decalin 640.55
    glycerin 585.83
    diglyme 3329.67
    acrylic acid 1481.57
    isopropyl myristate 898.46
    n-butyric acid 3208.87
    acetyl acetate 1999.62
    di(2-ethylhexyl) phthalate 717.57
    ethyl propionate 2168.8
    nitromethane 3911.95
    1,2-diethoxyethane 3337.27
    benzonitrile 2272.62
    trioctyl phosphate 554.68
    1-bromopropane 3624.68
    gamma-valerolactone 4088.18
    n-decanol 741.81
    triethyl phosphate 761.76
    4-methyl-2-pentanol 1406.78
    propionitrile 2722.99
    vinylene carbonate 2111.77
    1,1,2-trichlorotrifluoroethane 2745.55
    DMS 1535.71
    cumene 902.39
    2-octanol 1004.69
    2-hexanone 2824.05
    octyl acetate 1156.34
    limonene 1210.2
    1,2-dimethoxyethane 3725.77
    ethyl orthosilicate 848.32
    tributyl phosphate 830.96
    diacetone alcohol 2138.17
    N,N-dimethylaniline 1433.29
    acrylonitrile 2754.76
    aniline 1672.66
    1,3-propanediol 1384.76
    bromobenzene 2849.22
    dibromomethane 5124.85
    1,1,2,2-tetrachloroethane 6602.52
    2-methyl-cyclohexyl acetate 1477.75
    tetrabutyl urea 945.8
    diisobutyl methanol 909.33
    2-phenylethanol 1356.99
    styrene 1609.64
    dioctyl adipate 1119.65
    dimethyl sulfate 1191.46
    ethyl butyrate 2118.28
    methyl lactate 756.59
    butyl lactate 1299.61
    diethyl carbonate 1271.23
    propanediol butyl ether 1467.55
    triethyl orthoformate 1289.45
    p-tert-butyltoluene 685.49
    methyl 4-tert-butylbenzoate 1303.02
    morpholine 4172.41
    tert-butylamine 3116.34
    n-dodecanol 543.15
    dimethoxymethane 2081.06
    ethylene carbonate 1870.19
    cyrene 1096.5
    2-ethoxyethyl acetate 2176.47
    2-ethylhexyl acetate 2599.66
    1,2,4-trichlorobenzene 2270.69
    4-methylpyridine 4100.11
    dibutyl ether 2223.37
    2,6-dimethyl-4-heptanol 909.33
    DEF 3636.65
    dimethyl isosorbide 2103.96
    tetrachloroethylene 4210.61
    eugenol 1278.58
    triacetin 1706.6
    span 80 1337.21
    1,4-butanediol 738.14
    1,1-dichloroethane 5421.98
    2-methyl-1-pentanol 2421.46
    methyl formate 1331.28
    2-methyl-1-butanol 2733.29
    n-decane 306.09
    butyronitrile 3538.25
    3,7-dimethyl-1-octanol 1359.33
    1-chlorooctane 1194.18
    1-chlorotetradecane 395.56
    n-nonane 332.63
    undecane 209.66
    tert-butylcyclohexane 632.77
    cyclooctane 382.67
    cyclopentanol 2183.51
    tetrahydropyran 4540.63
    tert-amyl methyl ether 3384.65
    2,5,8-trioxanonane 2035.39
    1-hexene 3020.33
    2-isopropoxyethanol 1895.02
    2,2,2-trifluoroethanol 790.95
    methyl butyrate 3161.39

    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