Hex-1-en-1-yl 2-methylpropanoate

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  • Identifiers

    CAS number
    196791-41-0

    Molecular formula
    C10H18O2

    SMILES
    CCCCC=COC(=O)C(C)C

  • Odor profile

    Fragrance
    Fruity 97.85%
    Green 91.46%
    Apple 75.34%
    Tropical 73.04%
    Pineapple 62.5%
    Fresh 47.77%
    Pear 47.34%
    Banana 46.36%
    Sweet 44.95%
    Melon 42.56%

     

    Flavor
    Fruity 82.16%
    Green 63.18%
    Apple 46.28%
    Tropical 43.81%
    Pear 36.75%
    Waxy 33.03%
    Berry 30.97%
    Sweet 30.72%
    Floral 29.63%
    Oily 29.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.0 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    193°C

    Flash point

    • 73.12 ˚C est.

  • Synonyms

    • HEX-1-EN-1-YL 2-METHYLPROPANOATE
    • 196791-41-0
    • DTXSID60711423
    • 1-hexenyl isobutyrate
    • DTXCID20662169

  • Applications

    Hex-1-en-1-yl 2-methylpropanoate (CAS 196791-41-0) is commonly considered for use as a fragrance ingredient and fixative in perfumery, as a cosmetic/personal care fragrance additive, as a reactive diluent or co-monomer in UV-curable coatings and inks, as an intermediate in organic synthesis for aroma-related esters and specialty polymers, and as a specialty plasticizer in polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3564.34
    methanol 3574.39
    isopropanol 3157.34
    water 0.41
    ethyl acetate 4226.93
    n-propanol 2663.86
    acetone 5167.16
    n-butanol 2853.15
    acetonitrile 3459.67
    DMF 4734.01
    toluene 1765.2
    isobutanol 2529.92
    1,4-dioxane 3355.42
    methyl acetate 3045.67
    THF 4514.01
    2-butanone 4164.31
    n-pentanol 2290.34
    sec-butanol 3289.25
    n-hexane 1070.97
    ethylene glycol 259.21
    NMP 3625.08
    cyclohexane 918.27
    DMSO 3156.45
    n-butyl acetate 4788.48
    n-octanol 1296.17
    chloroform 7083.59
    n-propyl acetate 3083.72
    acetic acid 2893.32
    dichloromethane 6791.69
    cyclohexanone 5028.97
    propylene glycol 536.5
    isopropyl acetate 2895.86
    DMAc 3583.82
    2-ethoxyethanol 2055.94
    isopentanol 3263.7
    n-heptane 357.72
    ethyl formate 2168.88
    1,2-dichloroethane 4575.76
    n-hexanol 2746.61
    2-methoxyethanol 2793.46
    isobutyl acetate 1934.99
    tetrachloromethane 1263.13
    n-pentyl acetate 2219.54
    transcutol 7411.59
    n-heptanol 1240.25
    ethylbenzene 1231.04
    MIBK 2354.65
    2-propoxyethanol 2935.47
    tert-butanol 4173.16
    MTBE 5025.01
    2-butoxyethanol 1733.52
    propionic acid 2031.41
    o-xylene 1163.34
    formic acid 578.35
    diethyl ether 3730.52
    m-xylene 1294.75
    p-xylene 1715.07
    chlorobenzene 2578.24
    dimethyl carbonate 755.67
    n-octane 183.87
    formamide 975.55
    cyclopentanone 4496.81
    2-pentanone 3750.7
    anisole 1981.54
    cyclopentyl methyl ether 2797.54
    gamma-butyrolactone 4342.27
    1-methoxy-2-propanol 2361.58
    pyridine 3778.44
    3-pentanone 2386.14
    furfural 3483.64
    n-dodecane 130.75
    diethylene glycol 1281.69
    diisopropyl ether 1394.64
    tert-amyl alcohol 4364.56
    acetylacetone 3245.25
    n-hexadecane 150.49
    acetophenone 1939.07
    methyl propionate 2437.79
    isopentyl acetate 4174.44
    trichloroethylene 8486.23
    n-nonanol 1057.75
    cyclohexanol 2788.69
    benzyl alcohol 1437.25
    2-ethylhexanol 1879.68
    isooctanol 1082.05
    dipropyl ether 1714.62
    1,2-dichlorobenzene 2196.48
    ethyl lactate 816.85
    propylene carbonate 2734.0
    n-methylformamide 2084.93
    2-pentanol 2758.97
    n-pentane 633.6
    1-propoxy-2-propanol 2593.46
    1-methoxy-2-propyl acetate 2714.02
    2-(2-methoxypropoxy) propanol 1422.58
    mesitylene 823.93
    ε-caprolactone 4110.69
    p-cymene 735.6
    epichlorohydrin 4920.99
    1,1,1-trichloroethane 4960.15
    2-aminoethanol 821.86
    morpholine-4-carbaldehyde 3032.62
    sulfolane 3849.02
    2,2,4-trimethylpentane 386.05
    2-methyltetrahydrofuran 4738.77
    n-hexyl acetate 2894.63
    isooctane 313.95
    2-(2-butoxyethoxy)ethanol 2093.44
    sec-butyl acetate 2255.37
    tert-butyl acetate 2801.42
    decalin 527.8
    glycerin 579.34
    diglyme 3427.58
    acrylic acid 1457.51
    isopropyl myristate 885.54
    n-butyric acid 3722.3
    acetyl acetate 2096.58
    di(2-ethylhexyl) phthalate 713.21
    ethyl propionate 2268.93
    nitromethane 4153.84
    1,2-diethoxyethane 3417.96
    benzonitrile 2460.48
    trioctyl phosphate 535.88
    1-bromopropane 3516.71
    gamma-valerolactone 4685.44
    n-decanol 729.45
    triethyl phosphate 763.01
    4-methyl-2-pentanol 1521.88
    propionitrile 2790.57
    vinylene carbonate 2338.13
    1,1,2-trichlorotrifluoroethane 2805.7
    DMS 1466.64
    cumene 841.53
    2-octanol 1024.84
    2-hexanone 3092.18
    octyl acetate 1106.84
    limonene 1209.32
    1,2-dimethoxyethane 3927.11
    ethyl orthosilicate 820.36
    tributyl phosphate 787.94
    diacetone alcohol 2387.53
    N,N-dimethylaniline 1392.46
    acrylonitrile 2924.41
    aniline 1751.59
    1,3-propanediol 1494.0
    bromobenzene 3057.98
    dibromomethane 4910.23
    1,1,2,2-tetrachloroethane 6418.18
    2-methyl-cyclohexyl acetate 1590.73
    tetrabutyl urea 920.56
    diisobutyl methanol 982.78
    2-phenylethanol 1610.97
    styrene 1555.42
    dioctyl adipate 1096.48
    dimethyl sulfate 1048.91
    ethyl butyrate 2421.13
    methyl lactate 792.64
    butyl lactate 1333.02
    diethyl carbonate 1387.79
    propanediol butyl ether 1601.96
    triethyl orthoformate 1345.97
    p-tert-butyltoluene 698.64
    methyl 4-tert-butylbenzoate 1274.07
    morpholine 4384.12
    tert-butylamine 3079.46
    n-dodecanol 525.24
    dimethoxymethane 2293.68
    ethylene carbonate 1974.64
    cyrene 1048.19
    2-ethoxyethyl acetate 2286.71
    2-ethylhexyl acetate 3176.81
    1,2,4-trichlorobenzene 2277.7
    4-methylpyridine 4638.61
    dibutyl ether 2011.82
    2,6-dimethyl-4-heptanol 982.78
    DEF 3920.67
    dimethyl isosorbide 2135.46
    tetrachloroethylene 3959.97
    eugenol 1274.75
    triacetin 1621.66
    span 80 1415.6
    1,4-butanediol 721.75
    1,1-dichloroethane 5558.84
    2-methyl-1-pentanol 2609.67
    methyl formate 1436.45
    2-methyl-1-butanol 2942.8
    n-decane 238.78
    butyronitrile 3822.8
    3,7-dimethyl-1-octanol 1406.46
    1-chlorooctane 1084.19
    1-chlorotetradecane 346.67
    n-nonane 252.76
    undecane 168.83
    tert-butylcyclohexane 527.01
    cyclooctane 279.02
    cyclopentanol 2292.5
    tetrahydropyran 4700.47
    tert-amyl methyl ether 3414.52
    2,5,8-trioxanonane 2025.19
    1-hexene 2836.82
    2-isopropoxyethanol 1811.42
    2,2,2-trifluoroethanol 676.16
    methyl butyrate 3614.85

    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