2-Methylpentyl 2-methylbutyrate

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  • Identifiers

    CAS number
    83783-88-4

    Molecular formula
    C11H22O2

    SMILES
    CCCC(C)COC(=O)C(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.9%
    Apple 63.41%
    Fatty 53.02%
    Sweet 49.2%
    Oily 49.18%
    Herbal 47.78%
    Tropical 43.24%
    Green 42.93%
    Winey 40.31%
    Waxy 39.02%

     

    Flavor
    Fruity 86.42%
    Green 78.93%
    Sweet 59.38%
    Apple 58.39%
    Tropical 48.33%
    Berry 42.86%
    Waxy 42.15%
    Pineapple 36.95%
    Pear 35.04%
    Herbal 32.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.38 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point

    • 79.15 ˚C est.

  • Synonyms

    • 2-methylpentyl 2-methylbutanoate
    • 2-Methylpentyl 2-methylbutyrate
    • 83783-88-4
    • EINECS 280-823-1
    • DTXSID601003835
    • NS00060296
    • Butanoic acid, 2-methyl-, 2-methylpentyl ester
    • 83783-88-4

  • Applications

    2-Methylpentyl 2-methylbutyrate (CAS 83783-88-4) is primarily used as a fragrance ingredient and odorant in perfumery, contributing fruity, green notes and moderate volatility; it is commonly employed in cosmetics and personal care products as a scent component in lotions, creams, and soaps; it is used in household products such as air fresheners, laundry detergents, and cleaners to impart a light fruity aroma; it can serve as a fragrance intermediate in industrial manufacturing of scent formulations; and in some formulations it can act as a fixative to help stabilize more volatile aroma compounds. When permitted by local regulations, it may also be used as a flavor/aroma ingredient in approved food and beverage applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9818.48
    methanol 10625.0
    isopropanol 7925.08
    water 2.03
    ethyl acetate 7140.36
    n-propanol 7317.62
    acetone 8066.68
    n-butanol 7721.7
    acetonitrile 7163.91
    DMF 4790.32
    toluene 2704.14
    isobutanol 6290.33
    1,4-dioxane 8102.89
    methyl acetate 4627.72
    THF 7378.92
    2-butanone 6225.65
    n-pentanol 5287.71
    sec-butanol 7377.33
    n-hexane 2240.04
    ethylene glycol 525.27
    NMP 3742.28
    cyclohexane 2582.5
    DMSO 3638.15
    n-butyl acetate 8905.92
    n-octanol 2525.34
    chloroform 13507.7
    n-propyl acetate 5305.22
    acetic acid 6452.88
    dichloromethane 9869.07
    cyclohexanone 8839.81
    propylene glycol 1017.25
    isopropyl acetate 4811.02
    DMAc 3550.28
    2-ethoxyethanol 4079.2
    isopentanol 7405.87
    n-heptane 855.61
    ethyl formate 4796.6
    1,2-dichloroethane 6941.57
    n-hexanol 6646.32
    2-methoxyethanol 5529.54
    isobutyl acetate 3212.68
    tetrachloromethane 2935.24
    n-pentyl acetate 4026.93
    transcutol 10634.37
    n-heptanol 2662.96
    ethylbenzene 2007.36
    MIBK 3362.58
    2-propoxyethanol 5595.71
    tert-butanol 9174.6
    MTBE 9497.44
    2-butoxyethanol 3355.05
    propionic acid 3853.04
    o-xylene 1690.07
    formic acid 1471.02
    diethyl ether 8056.56
    m-xylene 1688.88
    p-xylene 2951.47
    chlorobenzene 4460.59
    dimethyl carbonate 798.13
    n-octane 399.27
    formamide 1839.0
    cyclopentanone 5776.12
    2-pentanone 5761.37
    anisole 2949.33
    cyclopentyl methyl ether 4332.01
    gamma-butyrolactone 5532.95
    1-methoxy-2-propanol 3859.25
    pyridine 7328.18
    3-pentanone 3264.8
    furfural 5078.45
    n-dodecane 233.8
    diethylene glycol 2235.86
    diisopropyl ether 2576.2
    tert-amyl alcohol 8587.67
    acetylacetone 4023.89
    n-hexadecane 275.19
    acetophenone 2562.23
    methyl propionate 3135.56
    isopentyl acetate 7788.98
    trichloroethylene 12150.39
    n-nonanol 1993.12
    cyclohexanol 6297.17
    benzyl alcohol 2382.13
    2-ethylhexanol 4175.72
    isooctanol 2303.06
    dipropyl ether 3652.16
    1,2-dichlorobenzene 3420.27
    ethyl lactate 1139.01
    propylene carbonate 3700.99
    n-methylformamide 3211.57
    2-pentanol 5941.03
    n-pentane 1392.69
    1-propoxy-2-propanol 4555.21
    1-methoxy-2-propyl acetate 3538.21
    2-(2-methoxypropoxy) propanol 2037.13
    mesitylene 1149.75
    ε-caprolactone 7349.47
    p-cymene 1272.63
    epichlorohydrin 7313.68
    1,1,1-trichloroethane 8327.06
    2-aminoethanol 1824.7
    morpholine-4-carbaldehyde 4229.94
    sulfolane 4148.03
    2,2,4-trimethylpentane 721.29
    2-methyltetrahydrofuran 7671.21
    n-hexyl acetate 4655.62
    isooctane 557.49
    2-(2-butoxyethoxy)ethanol 3098.96
    sec-butyl acetate 3726.2
    tert-butyl acetate 4071.39
    decalin 1005.16
    glycerin 1019.54
    diglyme 5705.16
    acrylic acid 2590.63
    isopropyl myristate 1370.67
    n-butyric acid 8584.53
    acetyl acetate 3292.87
    di(2-ethylhexyl) phthalate 1048.9
    ethyl propionate 3340.26
    nitromethane 6953.28
    1,2-diethoxyethane 5619.83
    benzonitrile 4471.8
    trioctyl phosphate 820.7
    1-bromopropane 5675.05
    gamma-valerolactone 7484.22
    n-decanol 1319.67
    triethyl phosphate 1070.71
    4-methyl-2-pentanol 2906.25
    propionitrile 5747.54
    vinylene carbonate 3446.68
    1,1,2-trichlorotrifluoroethane 4244.17
    DMS 1838.89
    cumene 1350.06
    2-octanol 2148.36
    2-hexanone 5096.91
    octyl acetate 1708.85
    limonene 2185.03
    1,2-dimethoxyethane 7731.05
    ethyl orthosilicate 1208.64
    tributyl phosphate 1127.51
    diacetone alcohol 3087.74
    N,N-dimethylaniline 1809.19
    acrylonitrile 5126.02
    aniline 3030.22
    1,3-propanediol 3598.45
    bromobenzene 4845.92
    dibromomethane 7613.79
    1,1,2,2-tetrachloroethane 9938.78
    2-methyl-cyclohexyl acetate 2456.66
    tetrabutyl urea 1232.35
    diisobutyl methanol 1836.31
    2-phenylethanol 2806.31
    styrene 2522.99
    dioctyl adipate 1577.64
    dimethyl sulfate 952.1
    ethyl butyrate 4043.35
    methyl lactate 987.96
    butyl lactate 2192.75
    diethyl carbonate 2161.3
    propanediol butyl ether 2523.09
    triethyl orthoformate 2322.95
    p-tert-butyltoluene 1166.88
    methyl 4-tert-butylbenzoate 1823.26
    morpholine 9690.78
    tert-butylamine 7138.43
    n-dodecanol 927.78
    dimethoxymethane 2893.12
    ethylene carbonate 3394.41
    cyrene 1319.51
    2-ethoxyethyl acetate 3592.62
    2-ethylhexyl acetate 5509.19
    1,2,4-trichlorobenzene 3455.48
    4-methylpyridine 7804.74
    dibutyl ether 3691.3
    2,6-dimethyl-4-heptanol 1836.31
    DEF 5341.51
    dimethyl isosorbide 2694.29
    tetrachloroethylene 7056.79
    eugenol 1799.76
    triacetin 2140.91
    span 80 2152.37
    1,4-butanediol 1537.48
    1,1-dichloroethane 9012.32
    2-methyl-1-pentanol 5419.11
    methyl formate 2237.03
    2-methyl-1-butanol 6771.85
    n-decane 498.33
    butyronitrile 8236.63
    3,7-dimethyl-1-octanol 2692.3
    1-chlorooctane 1890.67
    1-chlorotetradecane 580.77
    n-nonane 537.29
    undecane 318.65
    tert-butylcyclohexane 953.51
    cyclooctane 633.78
    cyclopentanol 4557.09
    tetrahydropyran 10819.2
    tert-amyl methyl ether 5650.28
    2,5,8-trioxanonane 2835.49
    1-hexene 5687.48
    2-isopropoxyethanol 3128.87
    2,2,2-trifluoroethanol 1334.8
    methyl butyrate 5833.74

    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