3-Methylbut-3-enyl 2-methylbutyrate

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  • Identifiers

    CAS number
    84254-81-9

    Molecular formula
    C10H18O2

    SMILES
    CCC(C)C(=O)OCCC(=C)C

  • Odor profile

    Fruity 85.49%
    Green 71.59%
    Apple 60.89%
    Herbal 50.39%
    Tropical 47.2%
    Floral 41.82%
    Sweet 41.58%
    Pineapple 40.87%
    Chamomile 36.45%
    Winey 35.27%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.92 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point est.
    70.17 ˚C

  • Synonyms

    • 3-Methylbut-3-enyl 2-methylbutyrate
    • 84254-81-9
    • EINECS 282-526-2
    • 3-Methylbut-3-en-1-yl 2-methylbutanoate
    • DTXSID501004509
    • NS00058770
    • Butanoic acid, 2-methyl-, 3-methyl-3-butenyl ester

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5088.67
    methanol 5474.96
    isopropanol 4496.73
    water 4.56
    ethyl acetate 3395.76
    n-propanol 3799.93
    acetone 4128.22
    n-butanol 3608.39
    acetonitrile 3585.35
    DMF 3025.57
    toluene 994.98
    isobutanol 3406.94
    1,4-dioxane 4491.38
    methyl acetate 2541.05
    THF 4761.31
    2-butanone 3186.18
    n-pentanol 2629.58
    sec-butanol 4467.66
    n-hexane 724.66
    ethylene glycol 440.77
    NMP 2619.02
    cyclohexane 905.48
    DMSO 2087.67
    n-butyl acetate 2646.55
    n-octanol 1167.82
    chloroform 7215.13
    n-propyl acetate 2065.17
    acetic acid 5350.91
    dichloromethane 4928.69
    cyclohexanone 4302.06
    propylene glycol 862.5
    isopropyl acetate 2139.06
    DMAc 2340.22
    2-ethoxyethanol 2275.51
    isopentanol 3489.49
    n-heptane 204.74
    ethyl formate 1892.67
    1,2-dichloroethane 3112.06
    n-hexanol 2670.4
    2-methoxyethanol 3095.25
    isobutyl acetate 1277.21
    tetrachloromethane 1068.3
    n-pentyl acetate 1315.21
    transcutol 6357.13
    n-heptanol 1032.1
    ethylbenzene 799.54
    MIBK 1591.55
    2-propoxyethanol 2487.04
    tert-butanol 5463.38
    MTBE 4328.95
    2-butoxyethanol 1351.68
    propionic acid 2768.7
    o-xylene 779.48
    formic acid 1187.93
    diethyl ether 3361.52
    m-xylene 766.38
    p-xylene 1204.7
    chlorobenzene 1732.93
    dimethyl carbonate 487.11
    n-octane 104.32
    formamide 1411.34
    cyclopentanone 3373.47
    2-pentanone 2513.06
    anisole 1404.27
    cyclopentyl methyl ether 2276.58
    gamma-butyrolactone 3625.61
    1-methoxy-2-propanol 2231.13
    pyridine 3238.87
    3-pentanone 1588.34
    furfural 2645.68
    n-dodecane 85.25
    diethylene glycol 1364.89
    diisopropyl ether 1022.5
    tert-amyl alcohol 5050.15
    acetylacetone 2102.93
    n-hexadecane 97.82
    acetophenone 1243.63
    methyl propionate 1651.33
    isopentyl acetate 2461.72
    trichloroethylene 6359.6
    n-nonanol 944.79
    cyclohexanol 3435.38
    benzyl alcohol 1253.46
    2-ethylhexanol 1415.86
    isooctanol 890.43
    dipropyl ether 1153.9
    1,2-dichlorobenzene 1428.3
    ethyl lactate 626.02
    propylene carbonate 2090.06
    n-methylformamide 1674.56
    2-pentanol 2884.37
    n-pentane 463.58
    1-propoxy-2-propanol 1872.03
    1-methoxy-2-propyl acetate 1618.68
    2-(2-methoxypropoxy) propanol 1171.5
    mesitylene 519.0
    ε-caprolactone 3570.77
    p-cymene 431.86
    epichlorohydrin 3941.38
    1,1,1-trichloroethane 3995.06
    2-aminoethanol 1289.64
    morpholine-4-carbaldehyde 2668.86
    sulfolane 2712.64
    2,2,4-trimethylpentane 300.09
    2-methyltetrahydrofuran 4509.14
    n-hexyl acetate 2002.07
    isooctane 217.8
    2-(2-butoxyethoxy)ethanol 1698.39
    sec-butyl acetate 1521.76
    tert-butyl acetate 1991.3
    decalin 350.32
    glycerin 927.28
    diglyme 2723.41
    acrylic acid 1909.91
    isopropyl myristate 612.59
    n-butyric acid 4603.52
    acetyl acetate 1774.08
    di(2-ethylhexyl) phthalate 537.26
    ethyl propionate 1438.29
    nitromethane 5096.69
    1,2-diethoxyethane 2235.76
    benzonitrile 1738.24
    trioctyl phosphate 384.69
    1-bromopropane 2319.88
    gamma-valerolactone 4088.19
    n-decanol 634.57
    triethyl phosphate 470.78
    4-methyl-2-pentanol 1442.84
    propionitrile 2427.67
    vinylene carbonate 1855.37
    1,1,2-trichlorotrifluoroethane 2539.61
    DMS 979.13
    cumene 568.98
    2-octanol 847.81
    2-hexanone 2243.3
    octyl acetate 802.29
    limonene 772.12
    1,2-dimethoxyethane 3677.61
    ethyl orthosilicate 522.39
    tributyl phosphate 551.88
    diacetone alcohol 1924.86
    N,N-dimethylaniline 846.4
    acrylonitrile 2176.86
    aniline 1451.77
    1,3-propanediol 2153.75
    bromobenzene 1740.6
    dibromomethane 3566.53
    1,1,2,2-tetrachloroethane 5509.02
    2-methyl-cyclohexyl acetate 1039.6
    tetrabutyl urea 606.58
    diisobutyl methanol 719.11
    2-phenylethanol 1245.23
    styrene 984.89
    dioctyl adipate 750.81
    dimethyl sulfate 663.78
    ethyl butyrate 1437.67
    methyl lactate 650.39
    butyl lactate 892.92
    diethyl carbonate 862.49
    propanediol butyl ether 1340.17
    triethyl orthoformate 877.06
    p-tert-butyltoluene 423.1
    methyl 4-tert-butylbenzoate 901.93
    morpholine 5415.96
    tert-butylamine 3498.47
    n-dodecanol 452.46
    dimethoxymethane 1474.88
    ethylene carbonate 1737.81
    cyrene 907.45
    2-ethoxyethyl acetate 1385.93
    2-ethylhexyl acetate 1724.52
    1,2,4-trichlorobenzene 1649.17
    4-methylpyridine 3398.4
    dibutyl ether 1410.79
    2,6-dimethyl-4-heptanol 719.11
    DEF 2601.29
    dimethyl isosorbide 1633.84
    tetrachloroethylene 3492.23
    eugenol 913.42
    triacetin 1159.96
    span 80 1184.6
    1,4-butanediol 900.16
    1,1-dichloroethane 4356.66
    2-methyl-1-pentanol 2728.06
    methyl formate 1296.43
    2-methyl-1-butanol 3466.09
    n-decane 161.89
    butyronitrile 3125.55
    3,7-dimethyl-1-octanol 1166.39
    1-chlorooctane 687.33
    1-chlorotetradecane 232.2
    n-nonane 160.43
    undecane 113.78
    tert-butylcyclohexane 364.25
    cyclooctane 201.16
    cyclopentanol 2782.48
    tetrahydropyran 5184.3
    tert-amyl methyl ether 2628.34
    2,5,8-trioxanonane 1581.47
    1-hexene 2059.51
    2-isopropoxyethanol 1646.85
    2,2,2-trifluoroethanol 1131.17
    methyl butyrate 2358.78

    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