2-Methylbut-2-enyl 2-methylbutyrate

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  • Identifiers

    CAS number
    84696-85-5

    Molecular formula
    C10H18O2

    SMILES
    CCC(C)C(=O)OC/C(=C/C)/C

  • Odor profile

    Fragrance
    Fruity 92.69%
    Apple 60.45%
    Herbal 46.67%
    Green 45.59%
    Tropical 40.19%
    Berry 36.41%
    Chamomile 35.47%
    Sweet 34.81%
    Pineapple 34.48%
    Floral 33.44%

     

    Flavor
    Fruity 84.12%
    Green 70.85%
    Sweet 68.26%
    Apple 47.46%
    Berry 45.64%
    Tropical 44.61%
    Herbal 39.2%
    Spicy 33.81%
    Floral 33.2%
    Rose 31.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.91 (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

    • 75.24 ˚C est.

  • Synonyms

    • EINECS 283-692-9
    • 2-Methylbut-2-enyl 2-methylbutyrate
    • 84696-85-5
    • 2-methyl-2-butenyl 2-methylbutanoate
    • 283-692-9

  • Applications

    Chemical name: 2-Methylbut-2-enyl 2-methylbutyrate; CAS number: 84696-85-5. 2-Methylbut-2-enyl 2-methylbutyrate is commonly used as an aroma-related ester in perfumery and flavor applications, where it acts as an odorant or fragrance component; it is often evaluated as an intermediate in the synthesis of cosmetic and personal-care ingredients, and may function as a processing aid or carrier in household products and cleaners; in industrial manufacturing it can serve as an aroma chemical intermediate or precursor for coatings, inks, and polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2731.83
    methanol 2588.27
    isopropanol 2606.54
    water 3.31
    ethyl acetate 2275.03
    n-propanol 2162.18
    acetone 2049.02
    n-butanol 2407.94
    acetonitrile 2427.64
    DMF 1446.75
    toluene 1166.47
    isobutanol 2062.64
    1,4-dioxane 3462.99
    methyl acetate 1875.75
    THF 2497.99
    2-butanone 2195.68
    n-pentanol 1913.54
    sec-butanol 2930.07
    n-hexane 627.83
    ethylene glycol 204.28
    NMP 1292.37
    cyclohexane 888.82
    DMSO 949.92
    n-butyl acetate 2163.61
    n-octanol 1062.87
    chloroform 5889.69
    n-propyl acetate 1605.11
    acetic acid 2253.95
    dichloromethane 4237.49
    cyclohexanone 2608.8
    propylene glycol 420.86
    isopropyl acetate 1397.17
    DMAc 1656.45
    2-ethoxyethanol 1544.28
    isopentanol 2532.0
    n-heptane 237.71
    ethyl formate 1337.05
    1,2-dichloroethane 2472.52
    n-hexanol 1979.35
    2-methoxyethanol 1769.01
    isobutyl acetate 1040.0
    tetrachloromethane 1168.6
    n-pentyl acetate 1184.17
    transcutol 4386.46
    n-heptanol 1015.03
    ethylbenzene 946.72
    MIBK 1046.85
    2-propoxyethanol 1676.69
    tert-butanol 3728.79
    MTBE 3550.35
    2-butoxyethanol 1245.01
    propionic acid 1372.87
    o-xylene 818.9
    formic acid 524.01
    diethyl ether 2558.48
    m-xylene 741.57
    p-xylene 1448.28
    chlorobenzene 1586.34
    dimethyl carbonate 310.17
    n-octane 135.77
    formamide 779.64
    cyclopentanone 1807.44
    2-pentanone 1600.15
    anisole 1440.24
    cyclopentyl methyl ether 1364.25
    gamma-butyrolactone 1766.43
    1-methoxy-2-propanol 1268.03
    pyridine 3037.75
    3-pentanone 1098.49
    furfural 1869.05
    n-dodecane 99.91
    diethylene glycol 799.46
    diisopropyl ether 823.2
    tert-amyl alcohol 4024.29
    acetylacetone 1333.18
    n-hexadecane 114.36
    acetophenone 1213.2
    methyl propionate 1023.56
    isopentyl acetate 2025.2
    trichloroethylene 5015.67
    n-nonanol 905.23
    cyclohexanol 2145.89
    benzyl alcohol 1158.62
    2-ethylhexanol 1285.13
    isooctanol 893.01
    dipropyl ether 966.19
    1,2-dichlorobenzene 1361.12
    ethyl lactate 462.58
    propylene carbonate 1260.75
    n-methylformamide 897.23
    2-pentanol 2004.36
    n-pentane 433.54
    1-propoxy-2-propanol 1286.48
    1-methoxy-2-propyl acetate 1066.96
    2-(2-methoxypropoxy) propanol 1003.32
    mesitylene 493.02
    ε-caprolactone 2337.82
    p-cymene 509.45
    epichlorohydrin 2437.39
    1,1,1-trichloroethane 3431.6
    2-aminoethanol 675.0
    morpholine-4-carbaldehyde 1667.26
    sulfolane 1386.48
    2,2,4-trimethylpentane 304.89
    2-methyltetrahydrofuran 2746.86
    n-hexyl acetate 1677.0
    isooctane 202.29
    2-(2-butoxyethoxy)ethanol 1401.1
    sec-butyl acetate 1245.78
    tert-butyl acetate 1294.2
    decalin 392.62
    glycerin 436.85
    diglyme 2463.02
    acrylic acid 986.58
    isopropyl myristate 552.78
    n-butyric acid 2407.48
    acetyl acetate 1157.21
    di(2-ethylhexyl) phthalate 480.13
    ethyl propionate 1139.34
    nitromethane 2444.1
    1,2-diethoxyethane 1929.97
    benzonitrile 1792.44
    trioctyl phosphate 327.93
    1-bromopropane 1935.16
    gamma-valerolactone 2443.96
    n-decanol 620.07
    triethyl phosphate 442.11
    4-methyl-2-pentanol 1121.28
    propionitrile 1949.33
    vinylene carbonate 1267.12
    1,1,2-trichlorotrifluoroethane 1526.66
    DMS 751.28
    cumene 667.11
    2-octanol 853.29
    2-hexanone 1686.5
    octyl acetate 700.74
    limonene 778.91
    1,2-dimethoxyethane 2827.14
    ethyl orthosilicate 491.1
    tributyl phosphate 433.4
    diacetone alcohol 1208.11
    N,N-dimethylaniline 903.17
    acrylonitrile 1764.62
    aniline 1310.8
    1,3-propanediol 1250.67
    bromobenzene 1755.65
    dibromomethane 3139.39
    1,1,2,2-tetrachloroethane 4197.03
    2-methyl-cyclohexyl acetate 924.04
    tetrabutyl urea 500.38
    diisobutyl methanol 635.02
    2-phenylethanol 1186.92
    styrene 1185.83
    dioctyl adipate 669.76
    dimethyl sulfate 378.04
    ethyl butyrate 1253.19
    methyl lactate 365.26
    butyl lactate 730.07
    diethyl carbonate 804.73
    propanediol butyl ether 1044.54
    triethyl orthoformate 798.8
    p-tert-butyltoluene 481.5
    methyl 4-tert-butylbenzoate 840.9
    morpholine 3771.82
    tert-butylamine 2921.44
    n-dodecanol 444.85
    dimethoxymethane 872.96
    ethylene carbonate 1126.38
    cyrene 702.73
    2-ethoxyethyl acetate 1230.17
    2-ethylhexyl acetate 1536.82
    1,2,4-trichlorobenzene 1470.32
    4-methylpyridine 3099.34
    dibutyl ether 1189.67
    2,6-dimethyl-4-heptanol 635.02
    DEF 1647.96
    dimethyl isosorbide 1254.4
    tetrachloroethylene 2774.98
    eugenol 905.69
    triacetin 949.77
    span 80 1007.36
    1,4-butanediol 559.84
    1,1-dichloroethane 3369.15
    2-methyl-1-pentanol 2106.09
    methyl formate 629.8
    2-methyl-1-butanol 2454.66
    n-decane 187.8
    butyronitrile 2524.31
    3,7-dimethyl-1-octanol 1077.88
    1-chlorooctane 692.85
    1-chlorotetradecane 254.01
    n-nonane 187.03
    undecane 130.71
    tert-butylcyclohexane 380.65
    cyclooctane 219.01
    cyclopentanol 1484.55
    tetrahydropyran 3695.2
    tert-amyl methyl ether 2283.11
    2,5,8-trioxanonane 1393.92
    1-hexene 1693.97
    2-isopropoxyethanol 1229.73
    2,2,2-trifluoroethanol 519.42
    methyl butyrate 1823.61

    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