3-Methylbut-2-enyl 2-methylbutyrate

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  • Identifiers

    CAS number
    84254-80-8

    Molecular formula
    C10H18O2

    SMILES
    CCC(C)C(=O)OCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 95.78%
    Apple 72.04%
    Green 69.07%
    Tropical 56.23%
    Pineapple 52.29%
    Sweet 44.59%
    Herbal 40.38%
    Berry 40.3%
    Banana 40.16%
    Pear 39.83%

     

    Flavor
    Fruity 85.84%
    Sweet 69.49%
    Green 66.0%
    Apple 51.77%
    Tropical 45.85%
    Berry 44.55%
    Waxy 34.42%
    Fruit 33.32%
    Pear 32.69%
    Rose 32.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.84 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 73.58 ˚C est.

  • Synonyms

    • 3-Methylbut-2-enyl 2-methylbutyrate
    • 84254-80-8
    • EINECS 282-525-7
    • 3-methylbut-2-en-1-yl 2-methylbutanoate
    • DTXSID801004508
    • NS00059024
    • 84254-80-8

  • Applications

    3-Methylbut-2-enyl 2-methylbutyrate (CAS 84254-80-8) is an isoprenyl isovalerate ester commonly used as a fragrance ingredient in perfumery and personal care products, where it contributes fruity and green aroma notes. It may also be used as a flavor ingredient in permitted flavor formulations, depending on approvals and regulations. In addition, it serves as an intermediate in the industrial synthesis of aroma compounds and can appear in cosmetics, cleaners, and household products to impart fragrance. The compound may also be used as a fragrance component in coatings and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3580.7
    methanol 3291.21
    isopropanol 3774.83
    water 3.86
    ethyl acetate 3261.25
    n-propanol 2917.58
    acetone 4076.92
    n-butanol 2977.77
    acetonitrile 3506.19
    DMF 2894.51
    toluene 1239.75
    isobutanol 2923.67
    1,4-dioxane 4683.52
    methyl acetate 2615.0
    THF 4712.76
    2-butanone 3252.1
    n-pentanol 2116.36
    sec-butanol 4000.54
    n-hexane 1083.63
    ethylene glycol 317.07
    NMP 2749.43
    cyclohexane 1439.72
    DMSO 1809.52
    n-butyl acetate 2460.9
    n-octanol 1190.63
    chloroform 8450.29
    n-propyl acetate 1968.22
    acetic acid 4572.62
    dichloromethane 5666.79
    cyclohexanone 4203.39
    propylene glycol 700.0
    isopropyl acetate 2061.75
    DMAc 2511.02
    2-ethoxyethanol 1943.12
    isopentanol 3100.13
    n-heptane 310.75
    ethyl formate 1689.85
    1,2-dichloroethane 3608.41
    n-hexanol 2239.0
    2-methoxyethanol 2573.33
    isobutyl acetate 1220.18
    tetrachloromethane 1585.91
    n-pentyl acetate 1346.72
    transcutol 5620.73
    n-heptanol 1063.09
    ethylbenzene 976.41
    MIBK 1595.16
    2-propoxyethanol 2156.59
    tert-butanol 5321.86
    MTBE 4930.63
    2-butoxyethanol 1341.16
    propionic acid 2411.38
    o-xylene 961.08
    formic acid 885.54
    diethyl ether 3576.41
    m-xylene 944.6
    p-xylene 1511.64
    chlorobenzene 2059.09
    dimethyl carbonate 550.29
    n-octane 157.58
    formamide 1283.37
    cyclopentanone 3545.01
    2-pentanone 2510.08
    anisole 1571.93
    cyclopentyl methyl ether 2362.97
    gamma-butyrolactone 3493.53
    1-methoxy-2-propanol 1957.71
    pyridine 3535.01
    3-pentanone 1783.73
    furfural 2658.1
    n-dodecane 118.38
    diethylene glycol 1160.43
    diisopropyl ether 1204.95
    tert-amyl alcohol 5034.91
    acetylacetone 2237.09
    n-hexadecane 136.02
    acetophenone 1393.8
    methyl propionate 1710.35
    isopentyl acetate 2311.28
    trichloroethylene 7267.97
    n-nonanol 1028.77
    cyclohexanol 3378.93
    benzyl alcohol 1212.6
    2-ethylhexanol 1388.19
    isooctanol 912.68
    dipropyl ether 1273.44
    1,2-dichlorobenzene 1712.75
    ethyl lactate 633.43
    propylene carbonate 2052.34
    n-methylformamide 1553.3
    2-pentanol 2732.1
    n-pentane 664.53
    1-propoxy-2-propanol 1708.65
    1-methoxy-2-propyl acetate 1555.58
    2-(2-methoxypropoxy) propanol 1213.08
    mesitylene 659.44
    ε-caprolactone 3505.7
    p-cymene 522.68
    epichlorohydrin 4005.21
    1,1,1-trichloroethane 5124.5
    2-aminoethanol 986.02
    morpholine-4-carbaldehyde 2679.15
    sulfolane 2868.86
    2,2,4-trimethylpentane 406.13
    2-methyltetrahydrofuran 4589.45
    n-hexyl acetate 2112.56
    isooctane 288.32
    2-(2-butoxyethoxy)ethanol 1677.76
    sec-butyl acetate 1536.0
    tert-butyl acetate 2050.51
    decalin 531.94
    glycerin 720.11
    diglyme 2782.26
    acrylic acid 1711.19
    isopropyl myristate 702.77
    n-butyric acid 3848.12
    acetyl acetate 1877.23
    di(2-ethylhexyl) phthalate 567.61
    ethyl propionate 1537.9
    nitromethane 4747.79
    1,2-diethoxyethane 2303.77
    benzonitrile 1834.65
    trioctyl phosphate 413.76
    1-bromopropane 2717.56
    gamma-valerolactone 4095.39
    n-decanol 706.08
    triethyl phosphate 528.18
    4-methyl-2-pentanol 1448.9
    propionitrile 2342.72
    vinylene carbonate 1842.22
    1,1,2-trichlorotrifluoroethane 2595.27
    DMS 1058.55
    cumene 701.52
    2-octanol 901.34
    2-hexanone 2109.62
    octyl acetate 886.38
    limonene 891.99
    1,2-dimethoxyethane 3433.8
    ethyl orthosilicate 576.6
    tributyl phosphate 577.6
    diacetone alcohol 1884.6
    N,N-dimethylaniline 993.75
    acrylonitrile 2172.31
    aniline 1622.12
    1,3-propanediol 1728.51
    bromobenzene 2198.59
    dibromomethane 4197.73
    1,1,2,2-tetrachloroethane 6730.88
    2-methyl-cyclohexyl acetate 1120.02
    tetrabutyl urea 646.88
    diisobutyl methanol 736.78
    2-phenylethanol 1223.05
    styrene 1168.76
    dioctyl adipate 831.19
    dimethyl sulfate 745.49
    ethyl butyrate 1473.16
    methyl lactate 636.03
    butyl lactate 883.71
    diethyl carbonate 936.68
    propanediol butyl ether 1262.88
    triethyl orthoformate 933.48
    p-tert-butyltoluene 509.82
    methyl 4-tert-butylbenzoate 1000.44
    morpholine 5469.44
    tert-butylamine 3922.81
    n-dodecanol 504.34
    dimethoxymethane 1451.58
    ethylene carbonate 1732.86
    cyrene 896.77
    2-ethoxyethyl acetate 1426.72
    2-ethylhexyl acetate 1741.25
    1,2,4-trichlorobenzene 1936.67
    4-methylpyridine 3642.48
    dibutyl ether 1547.01
    2,6-dimethyl-4-heptanol 736.78
    DEF 2663.57
    dimethyl isosorbide 1679.4
    tetrachloroethylene 4143.63
    eugenol 976.08
    triacetin 1259.15
    span 80 1229.0
    1,4-butanediol 710.11
    1,1-dichloroethane 5144.16
    2-methyl-1-pentanol 2381.67
    methyl formate 1106.85
    2-methyl-1-butanol 3132.14
    n-decane 222.71
    butyronitrile 2988.0
    3,7-dimethyl-1-octanol 1187.41
    1-chlorooctane 853.37
    1-chlorotetradecane 302.43
    n-nonane 225.3
    undecane 155.53
    tert-butylcyclohexane 510.7
    cyclooctane 330.31
    cyclopentanol 2580.05
    tetrahydropyran 5387.3
    tert-amyl methyl ether 2997.02
    2,5,8-trioxanonane 1607.85
    1-hexene 2337.55
    2-isopropoxyethanol 1513.1
    2,2,2-trifluoroethanol 1084.96
    methyl butyrate 2296.36

    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