Hex-1-EN-1-YL hex-2-enoate

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  • Identifiers

    CAS number
    83247-41-0

    Molecular formula
    C12H20O2

    SMILES
    CCCCC=COC(=O)C=CCCC

  • Odor profile

    Fragrance
    Fruity 94.51%
    Green 90.52%
    Tropical 67.79%
    Apple 58.17%
    Pineapple 47.97%
    Pear 47.86%
    Waxy 45.23%
    Melon 40.66%
    Fatty 37.38%
    Fresh 35.39%

     

    Flavor
    Green 65.75%
    Fruity 62.71%
    Fatty 52.14%
    Waxy 40.56%
    Oily 34.84%
    Sweet 33.69%
    Herbal 33.04%
    Pear 31.89%
    Apple 31.18%
    Vegetable 30.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.32 (neutral)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 114.58 ˚C est.

  • Synonyms

    • 83247-41-0
    • HEX-1-EN-1-YL HEX-2-ENOATE
    • DTXSID80705905

  • Applications

    Hex-1-EN-1-YL hex-2-enoate (CAS 83247-41-0) is an unsaturated fatty acid ester commonly used as a specialty monomer or intermediate in polymer, coating, and adhesive applications. It can participate in radical or controlled polymerization to form functional copolymers and polyester-based materials, and may serve as a reactive plasticizer or crosslinking component in coatings, inks, and adhesives. The alkenyl structure makes it a potential building block in organic synthesis and materials development. In perfumery or fragrance formulations, it may function as an odorant or fragrance precursor, while in cosmetics or personal care it may be evaluated for specialty formulation uses. Overall, usage is typically formulation-specific and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4460.63
    methanol 4506.37
    isopropanol 2556.83
    water 0.09
    ethyl acetate 4373.83
    n-propanol 2814.11
    acetone 7121.71
    n-butanol 2653.63
    acetonitrile 3249.72
    DMF 9257.13
    toluene 1877.12
    isobutanol 2071.37
    1,4-dioxane 3348.57
    methyl acetate 2902.45
    THF 7450.2
    2-butanone 4787.97
    n-pentanol 1596.1
    sec-butanol 2355.88
    n-hexane 412.92
    ethylene glycol 355.58
    NMP 6582.15
    cyclohexane 627.46
    DMSO 8257.48
    n-butyl acetate 2700.97
    n-octanol 501.03
    chloroform 5419.48
    n-propyl acetate 1982.29
    acetic acid 2405.51
    dichloromethane 7185.59
    cyclohexanone 6119.99
    propylene glycol 672.09
    isopropyl acetate 2443.89
    DMAc 4849.9
    2-ethoxyethanol 1770.18
    isopentanol 2155.81
    n-heptane 137.91
    ethyl formate 1794.6
    1,2-dichloroethane 6669.06
    n-hexanol 1531.26
    2-methoxyethanol 3980.71
    isobutyl acetate 1074.3
    tetrachloromethane 571.0
    n-pentyl acetate 1183.53
    transcutol 6335.89
    n-heptanol 496.01
    ethylbenzene 722.65
    MIBK 2047.15
    2-propoxyethanol 2289.75
    tert-butanol 2741.1
    MTBE 3146.24
    2-butoxyethanol 997.6
    propionic acid 1789.96
    o-xylene 814.79
    formic acid 524.92
    diethyl ether 3514.54
    m-xylene 1056.92
    p-xylene 825.55
    chlorobenzene 2329.29
    dimethyl carbonate 1039.75
    n-octane 54.25
    formamide 1152.23
    cyclopentanone 6544.8
    2-pentanone 4654.59
    anisole 1540.58
    cyclopentyl methyl ether 3926.54
    gamma-butyrolactone 5827.94
    1-methoxy-2-propanol 3124.27
    pyridine 4788.6
    3-pentanone 2888.63
    furfural 3584.49
    n-dodecane 41.46
    diethylene glycol 1390.03
    diisopropyl ether 948.78
    tert-amyl alcohol 2303.38
    acetylacetone 4130.48
    n-hexadecane 49.89
    acetophenone 1381.05
    methyl propionate 3198.36
    isopentyl acetate 2196.3
    trichloroethylene 10157.34
    n-nonanol 428.93
    cyclohexanol 2375.72
    benzyl alcohol 1109.26
    2-ethylhexanol 927.59
    isooctanol 429.06
    dipropyl ether 1151.61
    1,2-dichlorobenzene 1859.97
    ethyl lactate 653.92
    propylene carbonate 2588.11
    n-methylformamide 3015.21
    2-pentanol 1878.74
    n-pentane 336.87
    1-propoxy-2-propanol 1749.71
    1-methoxy-2-propyl acetate 2144.99
    2-(2-methoxypropoxy) propanol 1005.26
    mesitylene 569.45
    ε-caprolactone 4029.2
    p-cymene 355.32
    epichlorohydrin 7357.33
    1,1,1-trichloroethane 3932.37
    2-aminoethanol 1061.94
    morpholine-4-carbaldehyde 3761.45
    sulfolane 6499.63
    2,2,4-trimethylpentane 146.63
    2-methyltetrahydrofuran 6227.05
    n-hexyl acetate 1612.01
    isooctane 132.67
    2-(2-butoxyethoxy)ethanol 1551.22
    sec-butyl acetate 1352.15
    tert-butyl acetate 2380.39
    decalin 251.78
    glycerin 725.82
    diglyme 2885.7
    acrylic acid 1402.04
    isopropyl myristate 506.55
    n-butyric acid 3279.25
    acetyl acetate 2010.6
    di(2-ethylhexyl) phthalate 437.76
    ethyl propionate 1809.09
    nitromethane 5094.53
    1,2-diethoxyethane 2304.92
    benzonitrile 1617.0
    trioctyl phosphate 311.81
    1-bromopropane 3764.58
    gamma-valerolactone 5816.35
    n-decanol 302.8
    triethyl phosphate 475.39
    4-methyl-2-pentanol 865.22
    propionitrile 2368.63
    vinylene carbonate 2049.91
    1,1,2-trichlorotrifluoroethane 3104.86
    DMS 1260.96
    cumene 426.73
    2-octanol 376.14
    2-hexanone 2228.9
    octyl acetate 626.2
    limonene 695.73
    1,2-dimethoxyethane 3272.76
    ethyl orthosilicate 467.94
    tributyl phosphate 468.43
    diacetone alcohol 2282.43
    N,N-dimethylaniline 940.75
    acrylonitrile 2931.22
    aniline 1855.38
    1,3-propanediol 1668.69
    bromobenzene 2780.21
    dibromomethane 4863.67
    1,1,2,2-tetrachloroethane 7286.59
    2-methyl-cyclohexyl acetate 955.97
    tetrabutyl urea 658.72
    diisobutyl methanol 492.32
    2-phenylethanol 1062.29
    styrene 1164.55
    dioctyl adipate 738.72
    dimethyl sulfate 1567.5
    ethyl butyrate 1460.11
    methyl lactate 1096.52
    butyl lactate 840.36
    diethyl carbonate 798.62
    propanediol butyl ether 983.94
    triethyl orthoformate 773.47
    p-tert-butyltoluene 342.81
    methyl 4-tert-butylbenzoate 848.42
    morpholine 5920.85
    tert-butylamine 1817.71
    n-dodecanol 228.13
    dimethoxymethane 3931.43
    ethylene carbonate 1778.89
    cyrene 855.94
    2-ethoxyethyl acetate 1593.11
    2-ethylhexyl acetate 1570.9
    1,2,4-trichlorobenzene 2057.72
    4-methylpyridine 4691.85
    dibutyl ether 1041.1
    2,6-dimethyl-4-heptanol 492.32
    DEF 4994.65
    dimethyl isosorbide 1824.44
    tetrachloroethylene 3756.86
    eugenol 864.68
    triacetin 1102.94
    span 80 953.84
    1,4-butanediol 550.88
    1,1-dichloroethane 5323.21
    2-methyl-1-pentanol 1431.66
    methyl formate 1849.49
    2-methyl-1-butanol 2107.42
    n-decane 71.95
    butyronitrile 2884.89
    3,7-dimethyl-1-octanol 657.7
    1-chlorooctane 447.76
    1-chlorotetradecane 153.85
    n-nonane 72.34
    undecane 52.03
    tert-butylcyclohexane 205.74
    cyclooctane 152.73
    cyclopentanol 2405.03
    tetrahydropyran 5674.4
    tert-amyl methyl ether 2096.89
    2,5,8-trioxanonane 1751.66
    1-hexene 1599.26
    2-isopropoxyethanol 1224.83
    2,2,2-trifluoroethanol 480.89
    methyl butyrate 2646.48

    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