2-Ethylbutyl 2,2-dimethylpropanoate

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  • Identifiers

    CAS number
    131141-70-3

    Molecular formula
    C11H22O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 89.32%
    Herbal 55.84%
    Apple 45.27%
    Oily 38.29%
    Fatty 33.96%
    Ethereal 31.32%
    Sweet 31.04%
    Floral 30.45%
    Winey 29.35%
    Fermented 28.69%

     

    Flavor
    Green 76.82%
    Fruity 73.69%
    Sweet 53.37%
    Tropical 42.63%
    Apple 42.02%
    Herbal 39.63%
    Waxy 37.08%
    Berry 33.68%
    Floral 33.55%
    Citrus 28.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.57 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    192°C

    Flash point

    • 70.93 ˚C est.

  • Synonyms

    • 2-Ethylbutyl 2,2-dimethylpropanoate
    • 131141-70-3
    • Propanoic acid, 2,2-dimethyl-, 2-ethylbutyl ester
    • 2-Ethylbutyl pivalate
    • SCHEMBL13686673
    • DTXSID00338052
    • 131141-70-3

  • Applications

    2-Ethylbutyl 2,2-dimethylpropanoate (CAS 131141-70-3) finds applications as a fragrance ingredient and fixative in perfumery and cosmetics; it also serves as a plasticizer and processing solvent for polymers and coatings in industrial manufacturing; in coatings, inks, and adhesives it can function as a processing solvent or plasticizer; in household products and cleaners it may act as a solvent or carrier for fragrance oils and other formulation components; and it may be encountered as an intermediate or solvent in various chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4482.98
    methanol 4030.3
    isopropanol 4200.08
    water 4.54
    ethyl acetate 4945.94
    n-propanol 3940.5
    acetone 4508.25
    n-butanol 4435.52
    acetonitrile 4300.06
    DMF 3727.77
    toluene 3158.67
    isobutanol 3787.63
    1,4-dioxane 6043.79
    methyl acetate 3707.78
    THF 6109.4
    2-butanone 4122.44
    n-pentanol 3064.01
    sec-butanol 4778.78
    n-hexane 2358.67
    ethylene glycol 327.49
    NMP 3496.89
    cyclohexane 3188.9
    DMSO 1706.36
    n-butyl acetate 5739.86
    n-octanol 2407.68
    chloroform 12601.88
    n-propyl acetate 3579.18
    acetic acid 4420.63
    dichloromethane 8416.7
    cyclohexanone 6882.63
    propylene glycol 664.82
    isopropyl acetate 3768.91
    DMAc 3606.03
    2-ethoxyethanol 2695.44
    isopentanol 4498.7
    n-heptane 1179.21
    ethyl formate 3233.87
    1,2-dichloroethane 5276.03
    n-hexanol 3973.29
    2-methoxyethanol 3539.62
    isobutyl acetate 2593.87
    tetrachloromethane 3570.74
    n-pentyl acetate 3303.86
    transcutol 7077.3
    n-heptanol 2403.55
    ethylbenzene 2500.77
    MIBK 2790.32
    2-propoxyethanol 3513.18
    tert-butanol 5655.91
    MTBE 6825.17
    2-butoxyethanol 2868.91
    propionic acid 2668.98
    o-xylene 2183.45
    formic acid 1151.54
    diethyl ether 5219.0
    m-xylene 2064.62
    p-xylene 3940.84
    chlorobenzene 4011.29
    dimethyl carbonate 953.54
    n-octane 588.28
    formamide 1599.76
    cyclopentanone 4792.44
    2-pentanone 4042.48
    anisole 3034.3
    cyclopentyl methyl ether 3973.77
    gamma-butyrolactone 4873.47
    1-methoxy-2-propanol 2688.29
    pyridine 5511.35
    3-pentanone 2920.79
    furfural 4383.03
    n-dodecane 297.68
    diethylene glycol 1486.07
    diisopropyl ether 2415.35
    tert-amyl alcohol 5930.84
    acetylacetone 3442.01
    n-hexadecane 346.32
    acetophenone 2755.89
    methyl propionate 2704.84
    isopentyl acetate 5388.15
    trichloroethylene 10426.46
    n-nonanol 2081.38
    cyclohexanol 4605.59
    benzyl alcohol 2172.05
    2-ethylhexanol 3144.61
    isooctanol 2148.89
    dipropyl ether 3084.72
    1,2-dichlorobenzene 3448.75
    ethyl lactate 1064.76
    propylene carbonate 3448.03
    n-methylformamide 2335.92
    2-pentanol 3866.18
    n-pentane 1535.04
    1-propoxy-2-propanol 3076.98
    1-methoxy-2-propyl acetate 2929.03
    2-(2-methoxypropoxy) propanol 1961.68
    mesitylene 1500.45
    ε-caprolactone 5811.7
    p-cymene 1598.31
    epichlorohydrin 5532.96
    1,1,1-trichloroethane 8487.33
    2-aminoethanol 1157.74
    morpholine-4-carbaldehyde 4049.71
    sulfolane 3516.47
    2,2,4-trimethylpentane 859.93
    2-methyltetrahydrofuran 6473.56
    n-hexyl acetate 4430.33
    isooctane 672.63
    2-(2-butoxyethoxy)ethanol 2927.67
    sec-butyl acetate 3005.41
    tert-butyl acetate 3758.57
    decalin 1413.63
    glycerin 687.74
    diglyme 5229.13
    acrylic acid 1909.62
    isopropyl myristate 1463.52
    n-butyric acid 5401.62
    acetyl acetate 2944.7
    di(2-ethylhexyl) phthalate 1099.57
    ethyl propionate 2922.47
    nitromethane 5248.41
    1,2-diethoxyethane 3968.43
    benzonitrile 3763.81
    trioctyl phosphate 900.17
    1-bromopropane 4363.58
    gamma-valerolactone 6078.99
    n-decanol 1374.99
    triethyl phosphate 1159.23
    4-methyl-2-pentanol 2305.2
    propionitrile 3771.36
    vinylene carbonate 3225.24
    1,1,2-trichlorotrifluoroethane 3719.61
    DMS 1802.1
    cumene 1746.41
    2-octanol 2118.54
    2-hexanone 3476.58
    octyl acetate 1848.66
    limonene 2438.07
    1,2-dimethoxyethane 5373.27
    ethyl orthosilicate 1345.99
    tributyl phosphate 1142.77
    diacetone alcohol 2861.96
    N,N-dimethylaniline 2092.47
    acrylonitrile 3377.78
    aniline 2650.55
    1,3-propanediol 2117.39
    bromobenzene 4481.29
    dibromomethane 6558.29
    1,1,2,2-tetrachloroethane 9248.15
    2-methyl-cyclohexyl acetate 2588.37
    tetrabutyl urea 1232.58
    diisobutyl methanol 1682.85
    2-phenylethanol 2407.41
    styrene 2771.89
    dioctyl adipate 1673.42
    dimethyl sulfate 1087.86
    ethyl butyrate 3378.71
    methyl lactate 933.46
    butyl lactate 1974.2
    diethyl carbonate 2134.24
    propanediol butyl ether 2091.5
    triethyl orthoformate 2321.7
    p-tert-butyltoluene 1531.5
    methyl 4-tert-butylbenzoate 2140.86
    morpholine 7017.17
    tert-butylamine 4843.33
    n-dodecanol 987.04
    dimethoxymethane 2379.69
    ethylene carbonate 2991.03
    cyrene 1329.17
    2-ethoxyethyl acetate 2829.13
    2-ethylhexyl acetate 4404.56
    1,2,4-trichlorobenzene 3767.49
    4-methylpyridine 6442.84
    dibutyl ether 3140.55
    2,6-dimethyl-4-heptanol 1682.85
    DEF 4325.21
    dimethyl isosorbide 2825.76
    tetrachloroethylene 6951.24
    eugenol 1793.0
    triacetin 2248.1
    span 80 2056.11
    1,4-butanediol 922.69
    1,1-dichloroethane 7370.67
    2-methyl-1-pentanol 3350.18
    methyl formate 1817.08
    2-methyl-1-butanol 4247.27
    n-decane 632.53
    butyronitrile 5451.93
    3,7-dimethyl-1-octanol 2450.74
    1-chlorooctane 2014.37
    1-chlorotetradecane 681.43
    n-nonane 672.55
    undecane 404.87
    tert-butylcyclohexane 1295.11
    cyclooctane 1036.41
    cyclopentanol 3436.97
    tetrahydropyran 7680.23
    tert-amyl methyl ether 4884.93
    2,5,8-trioxanonane 2634.62
    1-hexene 4478.96
    2-isopropoxyethanol 2230.72
    2,2,2-trifluoroethanol 1294.88
    methyl butyrate 4180.32

    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