Isobutyl 2-ethylbutyrate

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  • Identifiers

    CAS number
    74082-06-7

    Molecular formula
    C10H20O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 93.62%
    Apple 62.8%
    Herbal 45.54%
    Fatty 44.99%
    Sweet 43.9%
    Oily 43.53%
    Winey 38.36%
    Pineapple 36.57%
    Ethereal 34.1%
    Pear 31.6%

     

    Flavor
    Fruity 86.14%
    Green 69.28%
    Sweet 62.61%
    Apple 56.03%
    Berry 44.39%
    Tropical 44.11%
    Waxy 40.98%
    Pineapple 39.62%
    Pear 31.98%
    Fruit 29.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.46 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 67.06 ˚C est.

  • Synonyms

    • 2-methylpropyl 2-ethylbutanoate
    • Isobutyl 2-ethylbutyrate
    • Butanoic acid, 2-ethyl-, 2-methylpropyl ester
    • 74082-06-7
    • 6FKX2ZYF3J
    • EINECS 277-707-8
    • NSC-20011
    • DTXSID4073629
    • SAWRJLRKAZYKPM-UHFFFAOYSA-
    • NSC 20011
    • RefChem:149070
    • DTXCID5047613
    • 277-707-8
    • InChI=1/C10H20O2/c1-5-9(6-2)10(11)12-7-8(3)4/h8-9H,5-7H2,1-4H3
    • Isobutyl 2-ethylbutanoate
    • UNII-6FKX2ZYF3J
    • Isobutyl 2-ethylbutanoate #
    • SCHEMBL6894886
    • SCHEMBL27658002
    • NSC20011
    • 2-Ethylbutyric acid, isobutyl ester
    • AKOS006239761
    • NS00037591
    • Q63399498
    • 74082-06-7

  • Applications

    Isobutyl 2-ethylbutyrate (CAS 74082-06-7) is an aliphatic ester commonly used in fragrance and cosmetic applications due to its fruity note. In practice, it may serve as a fragrance ingredient in perfumery and fragrance formulations, as a flavor component in certain food or beverage products, and as a cosmetic/personal care fragrance additive. It may also be used as a processing solvent or carrier for aroma formulations, and as an intermediate or building block in the synthesis of other aroma compounds. Additionally, it can be found in household products such as air fresheners and laundry products, and may be utilized in industrial manufacturing as a formulation aid or aroma-related ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6257.24
    methanol 6284.27
    isopropanol 6782.71
    water 6.01
    ethyl acetate 3523.8
    n-propanol 5515.34
    acetone 5532.82
    n-butanol 5657.11
    acetonitrile 5199.88
    DMF 3973.66
    toluene 2126.76
    isobutanol 5236.55
    1,4-dioxane 5749.87
    methyl acetate 3097.44
    THF 5850.85
    2-butanone 4190.55
    n-pentanol 3983.71
    sec-butanol 6387.55
    n-hexane 2262.62
    ethylene glycol 557.94
    NMP 3488.91
    cyclohexane 3230.9
    DMSO 2421.44
    n-butyl acetate 4555.74
    n-octanol 2463.89
    chloroform 14957.8
    n-propyl acetate 2630.96
    acetic acid 5623.56
    dichloromethane 9373.49
    cyclohexanone 7504.11
    propylene glycol 1133.01
    isopropyl acetate 2323.24
    DMAc 2932.66
    2-ethoxyethanol 2777.69
    isopentanol 5108.68
    n-heptane 996.55
    ethyl formate 3168.04
    1,2-dichloroethane 5674.49
    n-hexanol 4577.31
    2-methoxyethanol 3925.32
    isobutyl acetate 1802.17
    tetrachloromethane 3191.86
    n-pentyl acetate 2749.26
    transcutol 5052.95
    n-heptanol 2337.46
    ethylbenzene 1614.69
    MIBK 2172.58
    2-propoxyethanol 3468.04
    tert-butanol 6706.38
    MTBE 5405.44
    2-butoxyethanol 2499.3
    propionic acid 3510.43
    o-xylene 1426.47
    formic acid 1293.51
    diethyl ether 4421.52
    m-xylene 1342.69
    p-xylene 2530.74
    chlorobenzene 3880.44
    dimethyl carbonate 736.21
    n-octane 508.49
    formamide 1437.2
    cyclopentanone 5300.48
    2-pentanone 3573.17
    anisole 2094.09
    cyclopentyl methyl ether 3290.23
    gamma-butyrolactone 5011.98
    1-methoxy-2-propanol 2679.8
    pyridine 5809.08
    3-pentanone 2416.76
    furfural 4448.09
    n-dodecane 299.84
    diethylene glycol 1642.87
    diisopropyl ether 1484.08
    tert-amyl alcohol 6202.47
    acetylacetone 2434.97
    n-hexadecane 342.79
    acetophenone 1951.04
    methyl propionate 1951.43
    isopentyl acetate 4086.43
    trichloroethylene 11001.08
    n-nonanol 1927.81
    cyclohexanol 5857.74
    benzyl alcohol 1979.64
    2-ethylhexanol 2779.92
    isooctanol 1902.93
    dipropyl ether 2259.1
    1,2-dichlorobenzene 3112.02
    ethyl lactate 902.98
    propylene carbonate 3250.88
    n-methylformamide 2649.81
    2-pentanol 4437.96
    n-pentane 1534.64
    1-propoxy-2-propanol 2926.2
    1-methoxy-2-propyl acetate 1892.08
    2-(2-methoxypropoxy) propanol 1351.39
    mesitylene 954.86
    ε-caprolactone 5414.29
    p-cymene 1062.2
    epichlorohydrin 5672.54
    1,1,1-trichloroethane 7372.88
    2-aminoethanol 1662.24
    morpholine-4-carbaldehyde 3215.77
    sulfolane 4152.54
    2,2,4-trimethylpentane 690.19
    2-methyltetrahydrofuran 5898.97
    n-hexyl acetate 3612.02
    isooctane 494.3
    2-(2-butoxyethoxy)ethanol 2030.72
    sec-butyl acetate 1831.08
    tert-butyl acetate 2168.61
    decalin 971.03
    glycerin 1051.36
    diglyme 3643.48
    acrylic acid 2615.25
    isopropyl myristate 1114.16
    n-butyric acid 6178.68
    acetyl acetate 1915.36
    di(2-ethylhexyl) phthalate 854.94
    ethyl propionate 1836.22
    nitromethane 5084.56
    1,2-diethoxyethane 2693.46
    benzonitrile 3673.71
    trioctyl phosphate 736.51
    1-bromopropane 4851.39
    gamma-valerolactone 5799.19
    n-decanol 1280.86
    triethyl phosphate 807.26
    4-methyl-2-pentanol 2015.91
    propionitrile 4687.03
    vinylene carbonate 3130.84
    1,1,2-trichlorotrifluoroethane 3845.83
    DMS 1368.66
    cumene 1118.45
    2-octanol 2095.95
    2-hexanone 3202.43
    octyl acetate 1473.79
    limonene 1656.89
    1,2-dimethoxyethane 4906.01
    ethyl orthosilicate 872.35
    tributyl phosphate 943.46
    diacetone alcohol 1973.58
    N,N-dimethylaniline 1380.53
    acrylonitrile 4104.0
    aniline 2486.45
    1,3-propanediol 2858.64
    bromobenzene 4269.32
    dibromomethane 7620.24
    1,1,2,2-tetrachloroethane 9817.99
    2-methyl-cyclohexyl acetate 1712.86
    tetrabutyl urea 1065.25
    diisobutyl methanol 1388.27
    2-phenylethanol 2020.23
    styrene 1990.62
    dioctyl adipate 1299.49
    dimethyl sulfate 911.76
    ethyl butyrate 2175.17
    methyl lactate 894.66
    butyl lactate 1736.71
    diethyl carbonate 1437.12
    propanediol butyl ether 2049.83
    triethyl orthoformate 1519.37
    p-tert-butyltoluene 979.74
    methyl 4-tert-butylbenzoate 1535.35
    morpholine 6669.18
    tert-butylamine 5036.02
    n-dodecanol 911.46
    dimethoxymethane 1937.43
    ethylene carbonate 2994.76
    cyrene 1086.68
    2-ethoxyethyl acetate 2066.94
    2-ethylhexyl acetate 3000.3
    1,2,4-trichlorobenzene 3267.2
    4-methylpyridine 5855.64
    dibutyl ether 2674.78
    2,6-dimethyl-4-heptanol 1388.27
    DEF 3347.02
    dimethyl isosorbide 1919.4
    tetrachloroethylene 6976.19
    eugenol 1477.33
    triacetin 1653.87
    span 80 1636.42
    1,4-butanediol 1399.12
    1,1-dichloroethane 7968.67
    2-methyl-1-pentanol 3743.56
    methyl formate 2006.12
    2-methyl-1-butanol 4885.17
    n-decane 597.63
    butyronitrile 6678.05
    3,7-dimethyl-1-octanol 2142.96
    1-chlorooctane 1819.65
    1-chlorotetradecane 607.65
    n-nonane 679.81
    undecane 400.27
    tert-butylcyclohexane 908.56
    cyclooctane 781.0
    cyclopentanol 4897.87
    tetrahydropyran 8054.39
    tert-amyl methyl ether 3439.85
    2,5,8-trioxanonane 1850.28
    1-hexene 4499.61
    2-isopropoxyethanol 2038.11
    2,2,2-trifluoroethanol 1416.03
    methyl butyrate 3274.17

    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