2-Butyl-5-ethyl-4-methyl-1,3-oxazole

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  • Identifiers

    CAS number
    84028-02-4

    Molecular formula
    C10H17NO

    SMILES
    CCCCC1=NC(=C(O1)CC)C

    Safety labels

  • Odor profile

    Fragrance
    Green 73.8%
    Earthy 52.74%
    Vegetable 50.29%
    Roasted 49.13%
    Nutty 49.1%
    Fatty 39.61%
    Burnt 36.81%
    Musty 35.13%
    Herbal 34.53%
    Fruity 32.53%

     

    Flavor
    Green 66.48%
    Earthy 51.45%
    Roasted 43.44%
    Vegetable 40.55%
    Nutty 38.1%
    Burnt 37.89%
    Pepper 36.55%
    Raw 30.1%
    Meaty 29.31%
    Earth 28.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.58 (neutral)

    Molecular weight
    167.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    209°C

    Melting point expt.

    • 236 - 239 °C

    Flash point

    • 85.22 ˚C est.

  • Synonyms

    • 2-Butyl-5-ethyl-4-methyl-1,3-oxazole
    • Oxazole, 2-butyl-5-ethyl-4-methyl-
    • 2-Butyl-5-ethyl-4-methyloxazole
    • 84028-02-4
    • KZ978FWU2E
    • SCHEMBL30665035
    • 2-butyl-4-methyl-5-ethyloxazole
    • DTXSID60342276
    • CHEBI:195843
    • WNOQXIPJLNOPEB-UHFFFAOYSA-N
    • 2-Butyl-5-ethyl-4-methyl-1,3-oxazole #
    • 84028-02-4

  • Applications

    2-Butyl-5-ethyl-4-methyl-1,3-oxazole (CAS 84028-02-4) is typically regarded as a chemical intermediate and potential odorant for specialty applications, with relevance to fragrance and cosmetics. It may be used as a fragrance ingredient or as a building block for fragrance compounds and cosmetic formulations. In household products, it could appear as an odorant component in cleaners and air fresheners. In the industrial sector, it can serve as a precursor to more complex organic compounds used as ingredients or additives in chemical and material manufacturing. It may also be evaluated for coatings and inks as a fragrance-related additive or intermediate, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5307.8
    methanol 6929.69
    isopropanol 3739.65
    water 4.06
    ethyl acetate 3197.23
    n-propanol 4335.86
    acetone 3727.3
    n-butanol 4387.44
    acetonitrile 3004.88
    DMF 5107.45
    toluene 2788.18
    isobutanol 3922.91
    1,4-dioxane 5336.22
    methyl acetate 2644.91
    THF 6237.43
    2-butanone 3378.83
    n-pentanol 3431.16
    sec-butanol 3713.39
    n-hexane 1407.39
    ethylene glycol 630.27
    NMP 3460.88
    cyclohexane 1758.54
    DMSO 2986.83
    n-butyl acetate 4038.26
    n-octanol 1626.04
    chloroform 13355.47
    n-propyl acetate 2458.58
    acetic acid 3371.82
    dichloromethane 11928.26
    cyclohexanone 5478.18
    propylene glycol 917.38
    isopropyl acetate 2372.29
    DMAc 3513.47
    2-ethoxyethanol 3044.97
    isopentanol 4062.46
    n-heptane 534.17
    ethyl formate 2712.98
    1,2-dichloroethane 5829.3
    n-hexanol 3397.12
    2-methoxyethanol 4259.43
    isobutyl acetate 1963.76
    tetrachloromethane 2514.96
    n-pentyl acetate 2061.04
    transcutol 4749.96
    n-heptanol 1422.79
    ethylbenzene 1613.29
    MIBK 2088.77
    2-propoxyethanol 3530.16
    tert-butanol 3700.73
    MTBE 4387.23
    2-butoxyethanol 1912.01
    propionic acid 2262.06
    o-xylene 1391.49
    formic acid 1092.86
    diethyl ether 4317.79
    m-xylene 1537.09
    p-xylene 2234.12
    chlorobenzene 3911.99
    dimethyl carbonate 992.96
    n-octane 292.69
    formamide 1245.38
    cyclopentanone 4414.64
    2-pentanone 2992.93
    anisole 2313.45
    cyclopentyl methyl ether 3204.13
    gamma-butyrolactone 4460.88
    1-methoxy-2-propanol 2811.19
    pyridine 5629.29
    3-pentanone 2248.51
    furfural 3919.76
    n-dodecane 212.63
    diethylene glycol 1748.63
    diisopropyl ether 1267.73
    tert-amyl alcohol 3542.33
    acetylacetone 2644.5
    n-hexadecane 242.17
    acetophenone 1858.89
    methyl propionate 2147.0
    isopentyl acetate 3494.81
    trichloroethylene 9868.22
    n-nonanol 1337.58
    cyclohexanol 3804.12
    benzyl alcohol 2089.88
    2-ethylhexanol 1921.94
    isooctanol 1165.43
    dipropyl ether 1965.59
    1,2-dichlorobenzene 2886.01
    ethyl lactate 745.43
    propylene carbonate 2921.88
    n-methylformamide 2405.01
    2-pentanol 2757.12
    n-pentane 991.99
    1-propoxy-2-propanol 2273.12
    1-methoxy-2-propyl acetate 2051.54
    2-(2-methoxypropoxy) propanol 1224.21
    mesitylene 897.03
    ε-caprolactone 4262.71
    p-cymene 781.09
    epichlorohydrin 5611.86
    1,1,1-trichloroethane 5385.27
    2-aminoethanol 1564.02
    morpholine-4-carbaldehyde 3388.8
    sulfolane 3647.61
    2,2,4-trimethylpentane 490.69
    2-methyltetrahydrofuran 5203.6
    n-hexyl acetate 2653.67
    isooctane 353.63
    2-(2-butoxyethoxy)ethanol 1736.63
    sec-butyl acetate 1799.46
    tert-butyl acetate 2111.81
    decalin 647.49
    glycerin 931.72
    diglyme 3145.15
    acrylic acid 1673.37
    isopropyl myristate 876.82
    n-butyric acid 4431.79
    acetyl acetate 1910.35
    di(2-ethylhexyl) phthalate 816.49
    ethyl propionate 1846.52
    nitromethane 3434.81
    1,2-diethoxyethane 2982.16
    benzonitrile 3428.62
    trioctyl phosphate 595.05
    1-bromopropane 4619.32
    gamma-valerolactone 5246.26
    n-decanol 900.95
    triethyl phosphate 678.65
    4-methyl-2-pentanol 1573.92
    propionitrile 3367.74
    vinylene carbonate 2835.83
    1,1,2-trichlorotrifluoroethane 2940.74
    DMS 1520.67
    cumene 999.53
    2-octanol 1216.46
    2-hexanone 2676.8
    octyl acetate 1175.97
    limonene 1261.24
    1,2-dimethoxyethane 5743.32
    ethyl orthosilicate 770.27
    tributyl phosphate 822.46
    diacetone alcohol 1638.59
    N,N-dimethylaniline 1542.38
    acrylonitrile 3275.54
    aniline 2778.17
    1,3-propanediol 2476.01
    bromobenzene 4478.66
    dibromomethane 8149.33
    1,1,2,2-tetrachloroethane 7787.36
    2-methyl-cyclohexyl acetate 1292.66
    tetrabutyl urea 992.45
    diisobutyl methanol 880.62
    2-phenylethanol 1999.6
    styrene 2238.07
    dioctyl adipate 1072.34
    dimethyl sulfate 1150.19
    ethyl butyrate 2079.08
    methyl lactate 789.26
    butyl lactate 1207.04
    diethyl carbonate 1267.07
    propanediol butyl ether 1473.89
    triethyl orthoformate 1257.66
    p-tert-butyltoluene 726.31
    methyl 4-tert-butylbenzoate 1279.16
    morpholine 6032.37
    tert-butylamine 3031.58
    n-dodecanol 645.14
    dimethoxymethane 3164.05
    ethylene carbonate 2617.5
    cyrene 991.94
    2-ethoxyethyl acetate 1957.78
    2-ethylhexyl acetate 2660.28
    1,2,4-trichlorobenzene 2904.28
    4-methylpyridine 6140.38
    dibutyl ether 2163.04
    2,6-dimethyl-4-heptanol 880.62
    DEF 3660.79
    dimethyl isosorbide 1837.71
    tetrachloroethylene 5719.89
    eugenol 1372.45
    triacetin 1357.01
    span 80 1288.45
    1,4-butanediol 1264.73
    1,1-dichloroethane 6270.88
    2-methyl-1-pentanol 3351.59
    methyl formate 2004.49
    2-methyl-1-butanol 3953.07
    n-decane 376.52
    butyronitrile 4787.7
    3,7-dimethyl-1-octanol 1467.51
    1-chlorooctane 1315.8
    1-chlorotetradecane 462.3
    n-nonane 390.96
    undecane 270.6
    tert-butylcyclohexane 578.44
    cyclooctane 485.9
    cyclopentanol 3317.73
    tetrahydropyran 6275.57
    tert-amyl methyl ether 2800.69
    2,5,8-trioxanonane 1795.0
    1-hexene 3455.98
    2-isopropoxyethanol 1961.04
    2,2,2-trifluoroethanol 874.18
    methyl butyrate 3130.18

    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