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

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  • Identifiers

    CAS number
    84028-03-5

    Molecular formula
    C10H17NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 74.86%
    Earthy 52.92%
    Vegetable 51.51%
    Roasted 50.93%
    Nutty 48.46%
    Burnt 37.86%
    Fatty 37.45%
    Musty 34.62%
    Herbal 33.11%
    Meaty 32.96%

     

    Flavor
    Green 67.49%
    Earthy 51.91%
    Roasted 43.75%
    Vegetable 41.17%
    Pepper 37.97%
    Burnt 37.93%
    Nutty 37.35%
    Meaty 31.54%
    Raw 30.59%
    Herbal 28.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.62 (neutral)

    Molecular weight
    167.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 83.75 ˚C est.

  • Synonyms

    • 2-Butyl-4-ethyl-5-methyl-1,3-oxazole
    • 2-Butyl-4-ethyl-5-methyloxazole
    • 2-n-Butyl-4-ethyl-5-methyloxazole
    • 84028-03-5
    • Oxazole, 2-butyl-4-ethyl-5-methyl-
    • SCHEMBL30665024
    • DTXSID80342314
    • CHEBI:177739
    • PGYVZKVDXNIABS-UHFFFAOYSA-N
    • 2-Butyl-4-ethyl-5-methyl-1,3-oxazole #
    • Q63398615
    • 84028-03-5

  • Applications

    2-Butyl-4-ethyl-5-methyl-1,3-oxazole (CAS 84028-03-5) is a substituted oxazole that functions primarily as a heterocyclic building block in organic synthesis. In industrial contexts, it is commonly evaluated as an intermediate for pharmaceutical and agrochemical candidates and may serve as a precursor in the preparation of specialty polymers and resin-based formulations. The oxazole framework also makes such compounds potential candidates for fragrance and cosmetics applications, where derivatives can act as odorants or aroma notes. In coatings, inks and adhesive formulations, this scaffold can be used to introduce heteroatoms and tune reactivity, enabling custom resin or binder systems. Overall, its use is typically as an intermediate or building block, with application areas determined by process requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5531.83
    methanol 7006.23
    isopropanol 4052.19
    water 3.45
    ethyl acetate 3049.56
    n-propanol 4476.33
    acetone 3804.6
    n-butanol 4594.62
    acetonitrile 2928.37
    DMF 5009.35
    toluene 2668.2
    isobutanol 4126.69
    1,4-dioxane 5383.54
    methyl acetate 2496.01
    THF 6677.44
    2-butanone 3258.96
    n-pentanol 3411.16
    sec-butanol 4004.13
    n-hexane 1571.68
    ethylene glycol 655.05
    NMP 3536.51
    cyclohexane 2032.46
    DMSO 3089.37
    n-butyl acetate 3691.74
    n-octanol 1631.98
    chloroform 12591.66
    n-propyl acetate 2206.37
    acetic acid 3425.8
    dichloromethane 10860.84
    cyclohexanone 5515.38
    propylene glycol 1012.99
    isopropyl acetate 2254.17
    DMAc 3299.15
    2-ethoxyethanol 2781.26
    isopentanol 4213.86
    n-heptane 587.8
    ethyl formate 2454.11
    1,2-dichloroethane 5426.83
    n-hexanol 3696.15
    2-methoxyethanol 4128.57
    isobutyl acetate 1763.73
    tetrachloromethane 2352.7
    n-pentyl acetate 1903.69
    transcutol 4408.18
    n-heptanol 1430.94
    ethylbenzene 1476.89
    MIBK 2042.97
    2-propoxyethanol 3546.45
    tert-butanol 3973.61
    MTBE 4480.88
    2-butoxyethanol 1810.22
    propionic acid 2329.51
    o-xylene 1316.84
    formic acid 1059.42
    diethyl ether 4382.1
    m-xylene 1462.18
    p-xylene 2011.9
    chlorobenzene 3699.14
    dimethyl carbonate 938.64
    n-octane 298.13
    formamide 1148.67
    cyclopentanone 4444.07
    2-pentanone 2978.22
    anisole 2032.45
    cyclopentyl methyl ether 3404.74
    gamma-butyrolactone 4433.22
    1-methoxy-2-propanol 2812.74
    pyridine 5374.29
    3-pentanone 2164.95
    furfural 3594.32
    n-dodecane 215.88
    diethylene glycol 1711.16
    diisopropyl ether 1276.69
    tert-amyl alcohol 3678.78
    acetylacetone 2507.71
    n-hexadecane 247.12
    acetophenone 1621.33
    methyl propionate 2072.68
    isopentyl acetate 3205.41
    trichloroethylene 9156.38
    n-nonanol 1338.86
    cyclohexanol 4105.94
    benzyl alcohol 1935.91
    2-ethylhexanol 1935.32
    isooctanol 1140.04
    dipropyl ether 1976.11
    1,2-dichlorobenzene 2643.91
    ethyl lactate 681.61
    propylene carbonate 2794.26
    n-methylformamide 2292.24
    2-pentanol 2924.73
    n-pentane 1109.29
    1-propoxy-2-propanol 2270.69
    1-methoxy-2-propyl acetate 1887.73
    2-(2-methoxypropoxy) propanol 1181.8
    mesitylene 866.79
    ε-caprolactone 4187.43
    p-cymene 716.32
    epichlorohydrin 5351.41
    1,1,1-trichloroethane 5158.31
    2-aminoethanol 1576.1
    morpholine-4-carbaldehyde 3261.18
    sulfolane 3674.4
    2,2,4-trimethylpentane 505.61
    2-methyltetrahydrofuran 5565.51
    n-hexyl acetate 2547.42
    isooctane 366.14
    2-(2-butoxyethoxy)ethanol 1694.42
    sec-butyl acetate 1590.5
    tert-butyl acetate 1966.42
    decalin 671.21
    glycerin 983.03
    diglyme 2898.26
    acrylic acid 1712.81
    isopropyl myristate 847.26
    n-butyric acid 4373.4
    acetyl acetate 1766.94
    di(2-ethylhexyl) phthalate 777.09
    ethyl propionate 1637.91
    nitromethane 3244.74
    1,2-diethoxyethane 2678.63
    benzonitrile 2999.97
    trioctyl phosphate 580.56
    1-bromopropane 4574.81
    gamma-valerolactone 5104.18
    n-decanol 900.78
    triethyl phosphate 605.84
    4-methyl-2-pentanol 1617.02
    propionitrile 3344.56
    vinylene carbonate 2642.86
    1,1,2-trichlorotrifluoroethane 2774.01
    DMS 1376.93
    cumene 906.7
    2-octanol 1203.73
    2-hexanone 2471.92
    octyl acetate 1130.28
    limonene 1234.08
    1,2-dimethoxyethane 5373.39
    ethyl orthosilicate 683.11
    tributyl phosphate 786.19
    diacetone alcohol 1580.71
    N,N-dimethylaniline 1397.89
    acrylonitrile 3059.92
    aniline 2764.71
    1,3-propanediol 2474.6
    bromobenzene 4194.12
    dibromomethane 7610.09
    1,1,2,2-tetrachloroethane 7420.85
    2-methyl-cyclohexyl acetate 1210.96
    tetrabutyl urea 965.49
    diisobutyl methanol 870.18
    2-phenylethanol 1875.51
    styrene 2041.14
    dioctyl adipate 1021.08
    dimethyl sulfate 1099.97
    ethyl butyrate 1803.46
    methyl lactate 788.86
    butyl lactate 1137.31
    diethyl carbonate 1094.69
    propanediol butyl ether 1451.41
    triethyl orthoformate 1115.33
    p-tert-butyltoluene 681.84
    methyl 4-tert-butylbenzoate 1192.33
    morpholine 6299.36
    tert-butylamine 3180.42
    n-dodecanol 651.83
    dimethoxymethane 3080.17
    ethylene carbonate 2466.37
    cyrene 966.79
    2-ethoxyethyl acetate 1760.75
    2-ethylhexyl acetate 2385.08
    1,2,4-trichlorobenzene 2660.19
    4-methylpyridine 5681.55
    dibutyl ether 2091.93
    2,6-dimethyl-4-heptanol 870.18
    DEF 3429.46
    dimethyl isosorbide 1753.88
    tetrachloroethylene 5365.12
    eugenol 1262.19
    triacetin 1256.72
    span 80 1276.95
    1,4-butanediol 1266.37
    1,1-dichloroethane 6101.55
    2-methyl-1-pentanol 3338.86
    methyl formate 1849.96
    2-methyl-1-butanol 4113.62
    n-decane 380.45
    butyronitrile 4701.66
    3,7-dimethyl-1-octanol 1443.77
    1-chlorooctane 1318.05
    1-chlorotetradecane 459.14
    n-nonane 400.8
    undecane 274.48
    tert-butylcyclohexane 593.98
    cyclooctane 544.69
    cyclopentanol 3614.33
    tetrahydropyran 6708.35
    tert-amyl methyl ether 2760.43
    2,5,8-trioxanonane 1732.83
    1-hexene 3612.64
    2-isopropoxyethanol 1828.52
    2,2,2-trifluoroethanol 834.05
    methyl butyrate 2756.98

    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