2-Methylprop-2-EN-1-YL hexanoate

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  • Identifiers

    CAS number
    86143-85-3

    Molecular formula
    C10H18O2

    SMILES
    CCCCCC(=O)OCC(=C)C

  • Odor profile

    Fragrance
    Fruity 94.77%
    Apple 53.57%
    Pineapple 52.31%
    Green 46.19%
    Herbal 44.4%
    Sweet 44.12%
    Winey 43.77%
    Tropical 35.83%
    Ethereal 34.77%
    Banana 33.98%

     

    Flavor
    Fruity 80.8%
    Sweet 47.09%
    Green 46.77%
    Pineapple 44.85%
    Berry 39.55%
    Tropical 39.12%
    Apple 36.72%
    Herbal 32.67%
    Fruit 30.33%
    Spicy 27.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.23 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point

    • 74.39 ˚C est.

  • Synonyms

    • 86143-85-3
    • 2-METHYLPROP-2-EN-1-YL HEXANOATE
    • SCHEMBL3503610
    • DTXSID90528824

  • Applications

    2-Methylprop-2-EN-1-YL hexanoate (CAS 86143-85-3) is commonly evaluated as a fragrance ingredient and aroma ester, contributing fruity/green notes in perfumery and cosmetic formulations. It may be used in cosmetics and personal care products, and can also appear in household cleaning products to impart scent. As an odorant/fragrance component, it may serve as an intermediate in fragrance chemistry and find use in industrial manufacturing such as coatings, inks, or other scent-enabled applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2463.21
    methanol 2751.21
    isopropanol 1837.68
    water 0.68
    ethyl acetate 1231.18
    n-propanol 1549.91
    acetone 1512.66
    n-butanol 1622.79
    acetonitrile 878.66
    DMF 1588.7
    toluene 423.32
    isobutanol 1251.22
    1,4-dioxane 1576.56
    methyl acetate 940.23
    THF 2044.47
    2-butanone 1236.74
    n-pentanol 1265.39
    sec-butanol 1600.34
    n-hexane 225.75
    ethylene glycol 269.4
    NMP 930.0
    cyclohexane 221.49
    DMSO 1174.9
    n-butyl acetate 1498.95
    n-octanol 582.77
    chloroform 1987.87
    n-propyl acetate 792.03
    acetic acid 1461.03
    dichloromethane 1528.3
    cyclohexanone 1501.04
    propylene glycol 495.91
    isopropyl acetate 866.99
    DMAc 1246.15
    2-ethoxyethanol 1155.14
    isopentanol 1542.83
    n-heptane 110.7
    ethyl formate 757.19
    1,2-dichloroethane 1070.12
    n-hexanol 1608.96
    2-methoxyethanol 1617.09
    isobutyl acetate 584.61
    tetrachloromethane 243.1
    n-pentyl acetate 629.79
    transcutol 3282.21
    n-heptanol 543.38
    ethylbenzene 338.83
    MIBK 723.25
    2-propoxyethanol 1681.21
    tert-butanol 2114.02
    MTBE 1515.94
    2-butoxyethanol 828.86
    propionic acid 866.78
    o-xylene 310.8
    formic acid 361.7
    diethyl ether 1081.65
    m-xylene 342.54
    p-xylene 460.26
    chlorobenzene 577.18
    dimethyl carbonate 213.99
    n-octane 53.27
    formamide 390.24
    cyclopentanone 1233.89
    2-pentanone 1116.21
    anisole 652.87
    cyclopentyl methyl ether 910.14
    gamma-butyrolactone 1149.75
    1-methoxy-2-propanol 1297.42
    pyridine 1128.41
    3-pentanone 579.72
    furfural 1110.46
    n-dodecane 48.08
    diethylene glycol 949.58
    diisopropyl ether 372.77
    tert-amyl alcohol 1809.52
    acetylacetone 974.44
    n-hexadecane 53.38
    acetophenone 585.36
    methyl propionate 639.71
    isopentyl acetate 1351.38
    trichloroethylene 1934.88
    n-nonanol 487.55
    cyclohexanol 1105.33
    benzyl alcohol 612.47
    2-ethylhexanol 866.65
    isooctanol 443.82
    dipropyl ether 628.21
    1,2-dichlorobenzene 518.1
    ethyl lactate 334.77
    propylene carbonate 809.22
    n-methylformamide 687.75
    2-pentanol 1182.87
    n-pentane 148.95
    1-propoxy-2-propanol 1307.43
    1-methoxy-2-propyl acetate 948.43
    2-(2-methoxypropoxy) propanol 773.16
    mesitylene 225.09
    ε-caprolactone 1326.66
    p-cymene 255.18
    epichlorohydrin 1495.89
    1,1,1-trichloroethane 1036.32
    2-aminoethanol 674.23
    morpholine-4-carbaldehyde 1204.77
    sulfolane 1049.31
    2,2,4-trimethylpentane 103.56
    2-methyltetrahydrofuran 1638.6
    n-hexyl acetate 946.0
    isooctane 88.17
    2-(2-butoxyethoxy)ethanol 1046.33
    sec-butyl acetate 630.61
    tert-butyl acetate 837.06
    decalin 141.25
    glycerin 528.6
    diglyme 1640.3
    acrylic acid 608.56
    isopropyl myristate 336.43
    n-butyric acid 1688.1
    acetyl acetate 639.16
    di(2-ethylhexyl) phthalate 315.71
    ethyl propionate 593.79
    nitromethane 1282.01
    1,2-diethoxyethane 1136.04
    benzonitrile 739.63
    trioctyl phosphate 230.0
    1-bromopropane 861.03
    gamma-valerolactone 1558.31
    n-decanol 340.21
    triethyl phosphate 276.93
    4-methyl-2-pentanol 680.15
    propionitrile 822.26
    vinylene carbonate 693.52
    1,1,2-trichlorotrifluoroethane 1060.08
    DMS 486.4
    cumene 260.88
    2-octanol 396.44
    2-hexanone 943.96
    octyl acetate 423.64
    limonene 424.76
    1,2-dimethoxyethane 1794.93
    ethyl orthosilicate 292.97
    tributyl phosphate 306.81
    diacetone alcohol 956.82
    N,N-dimethylaniline 458.85
    acrylonitrile 832.53
    aniline 530.51
    1,3-propanediol 1055.17
    bromobenzene 591.27
    dibromomethane 1112.65
    1,1,2,2-tetrachloroethane 1695.93
    2-methyl-cyclohexyl acetate 599.13
    tetrabutyl urea 366.35
    diisobutyl methanol 437.14
    2-phenylethanol 707.06
    styrene 426.42
    dioctyl adipate 474.18
    dimethyl sulfate 275.12
    ethyl butyrate 780.85
    methyl lactate 359.29
    butyl lactate 517.76
    diethyl carbonate 454.79
    propanediol butyl ether 822.16
    triethyl orthoformate 476.87
    p-tert-butyltoluene 251.93
    methyl 4-tert-butylbenzoate 507.6
    morpholine 2046.22
    tert-butylamine 1286.55
    n-dodecanol 253.99
    dimethoxymethane 814.66
    ethylene carbonate 633.68
    cyrene 500.09
    2-ethoxyethyl acetate 722.44
    2-ethylhexyl acetate 955.76
    1,2,4-trichlorobenzene 594.56
    4-methylpyridine 1245.14
    dibutyl ether 649.59
    2,6-dimethyl-4-heptanol 437.14
    DEF 1084.73
    dimethyl isosorbide 923.02
    tetrachloroethylene 1016.82
    eugenol 558.96
    triacetin 621.69
    span 80 714.3
    1,4-butanediol 506.86
    1,1-dichloroethane 1269.06
    2-methyl-1-pentanol 1222.03
    methyl formate 472.83
    2-methyl-1-butanol 1302.5
    n-decane 78.62
    butyronitrile 1213.12
    3,7-dimethyl-1-octanol 654.37
    1-chlorooctane 317.37
    1-chlorotetradecane 130.68
    n-nonane 77.04
    undecane 59.66
    tert-butylcyclohexane 148.62
    cyclooctane 64.6
    cyclopentanol 962.08
    tetrahydropyran 1783.94
    tert-amyl methyl ether 1004.48
    2,5,8-trioxanonane 1078.87
    1-hexene 817.35
    2-isopropoxyethanol 893.92
    2,2,2-trifluoroethanol 282.72
    methyl butyrate 954.58

    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