4-Ethyl-5-methyl-2-(1-methylethyl)oxazole

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  • Identifiers

    CAS number
    84027-96-3

    Molecular formula
    C9H15NO

    SMILES
    CCC1=C(OC(=N1)C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 84.76%
    Earthy 64.56%
    Vegetable 56.14%
    Nutty 54.69%
    Roasted 47.84%
    Musty 37.86%
    Burnt 37.11%
    Potato 36.01%
    Leafy 33.8%
    Cocoa 31.17%

     

    Flavor
    Green 73.04%
    Earthy 55.12%
    Vegetable 41.01%
    Earth 37.86%
    Pepper 37.22%
    Roasted 34.73%
    Burnt 33.53%
    Raw 31.21%
    Pea 30.51%
    Nutty 29.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.16 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    170°C

    Flash point

    • 62.88 ˚C est.

  • Synonyms

    • 4-Ethyl-5-methyl-2-(1-methylethyl)oxazole
    • 4-Ethyl-2-isopropyl-5-methyloxazole
    • 84027-96-3
    • 4-ethyl-5-methyl-2-(propan-2-yl)-1,3-oxazole
    • Oxazole, 4-ethyl-2-isopropyl-5-methyl
    • 2-iso-Propyl-4-ethyl-5-methyloxazole
    • 4-Ethyl-2-isopropyl-5-methyl-1,3-oxazole
    • 4-ethyl-5-methyl-2-propan-2-yl-1,3-oxazole
    • SCHEMBL30665042
    • CHEBI:196459
    • SGEREWZCOUDFEM-UHFFFAOYSA-N
    • DTXSID001270814
    • DB-288266
    • 4-Ethyl-2-isopropyl-5-methyl-1,3-oxazole #
    • Oxazole, 4-ethyl-5-methyl-2-(1-methylethyl)-
    • 4-Ethyl-5-methyl-2-(1-methylethyl)oxazole, 9CI
    • Q63399577
    • 84027-96-3

  • Applications

    4-Ethyl-5-methyl-2-(1-methylethyl)oxazole (CAS 84027-96-3) is primarily used as a synthetic building block in organic chemistry, enabling the preparation of more complex heterocyclic compounds for pharmaceutical and agrochemical research. It is commonly evaluated for fragrance applications as a scaffold with odor activity or as a fragrance fixative, and may serve as an intermediate in cosmetics and personal care formulations. In industrial manufacturing, it has been explored as a specialty chemical precursor for polymer and coating formulations, and as a reactive intermediate in the synthesis of performance chemicals. Its use is typically constrained by formulation compatibility and regulatory considerations, and should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2579.8
    methanol 2668.35
    isopropanol 2216.94
    water 6.49
    ethyl acetate 2260.59
    n-propanol 2412.59
    acetone 2917.23
    n-butanol 2285.23
    acetonitrile 2237.78
    DMF 3378.42
    toluene 2224.21
    isobutanol 2092.47
    1,4-dioxane 3269.42
    methyl acetate 2246.83
    THF 4851.59
    2-butanone 2840.33
    n-pentanol 1925.72
    sec-butanol 2457.83
    n-hexane 1102.82
    ethylene glycol 426.67
    NMP 2820.09
    cyclohexane 1213.67
    DMSO 2253.08
    n-butyl acetate 2821.49
    n-octanol 1672.08
    chloroform 9793.69
    n-propyl acetate 1934.67
    acetic acid 1473.21
    dichloromethane 9501.93
    cyclohexanone 3731.26
    propylene glycol 678.55
    isopropyl acetate 1507.12
    DMAc 2652.42
    2-ethoxyethanol 1776.37
    isopentanol 2013.02
    n-heptane 736.22
    ethyl formate 1991.73
    1,2-dichloroethane 4203.36
    n-hexanol 2271.94
    2-methoxyethanol 2383.79
    isobutyl acetate 1358.3
    tetrachloromethane 2305.85
    n-pentyl acetate 1870.49
    transcutol 2503.54
    n-heptanol 1314.39
    ethylbenzene 1670.15
    MIBK 1446.1
    2-propoxyethanol 2189.2
    tert-butanol 2269.69
    MTBE 2561.11
    2-butoxyethanol 1451.96
    propionic acid 1460.63
    o-xylene 1489.81
    formic acid 431.81
    diethyl ether 2651.96
    m-xylene 1533.09
    p-xylene 2446.78
    chlorobenzene 2831.82
    dimethyl carbonate 906.69
    n-octane 455.12
    formamide 624.57
    cyclopentanone 3704.33
    2-pentanone 2313.86
    anisole 2021.49
    cyclopentyl methyl ether 2483.76
    gamma-butyrolactone 3717.84
    1-methoxy-2-propanol 1784.59
    pyridine 3598.42
    3-pentanone 1919.32
    furfural 3419.45
    n-dodecane 371.75
    diethylene glycol 1055.58
    diisopropyl ether 980.66
    tert-amyl alcohol 2304.34
    acetylacetone 2147.22
    n-hexadecane 411.56
    acetophenone 1865.5
    methyl propionate 1796.47
    isopentyl acetate 2233.96
    trichloroethylene 7491.21
    n-nonanol 1315.92
    cyclohexanol 2173.97
    benzyl alcohol 1576.0
    2-ethylhexanol 1497.45
    isooctanol 1068.47
    dipropyl ether 1770.85
    1,2-dichlorobenzene 2495.52
    ethyl lactate 735.13
    propylene carbonate 2403.1
    n-methylformamide 1692.47
    2-pentanol 1773.29
    n-pentane 848.98
    1-propoxy-2-propanol 1558.28
    1-methoxy-2-propyl acetate 1490.16
    2-(2-methoxypropoxy) propanol 1072.07
    mesitylene 1050.18
    ε-caprolactone 3033.11
    p-cymene 1044.6
    epichlorohydrin 4494.22
    1,1,1-trichloroethane 4747.01
    2-aminoethanol 906.89
    morpholine-4-carbaldehyde 2740.41
    sulfolane 3293.92
    2,2,4-trimethylpentane 495.47
    2-methyltetrahydrofuran 3767.62
    n-hexyl acetate 2552.37
    isooctane 366.67
    2-(2-butoxyethoxy)ethanol 1370.9
    sec-butyl acetate 1247.35
    tert-butyl acetate 1451.34
    decalin 651.64
    glycerin 665.26
    diglyme 2501.75
    acrylic acid 1195.64
    isopropyl myristate 1006.34
    n-butyric acid 2122.36
    acetyl acetate 1399.41
    di(2-ethylhexyl) phthalate 811.53
    ethyl propionate 1635.2
    nitromethane 2276.1
    1,2-diethoxyethane 1856.62
    benzonitrile 2675.91
    trioctyl phosphate 674.11
    1-bromopropane 3447.06
    gamma-valerolactone 3940.04
    n-decanol 960.1
    triethyl phosphate 692.04
    4-methyl-2-pentanol 961.65
    propionitrile 2228.12
    vinylene carbonate 2569.41
    1,1,2-trichlorotrifluoroethane 2264.68
    DMS 1518.62
    cumene 1165.36
    2-octanol 1298.18
    2-hexanone 2092.37
    octyl acetate 1310.75
    limonene 1343.06
    1,2-dimethoxyethane 3191.84
    ethyl orthosilicate 682.32
    tributyl phosphate 813.51
    diacetone alcohol 1224.23
    N,N-dimethylaniline 1522.91
    acrylonitrile 2433.31
    aniline 1754.03
    1,3-propanediol 1337.69
    bromobenzene 3562.09
    dibromomethane 6671.85
    1,1,2,2-tetrachloroethane 5879.76
    2-methyl-cyclohexyl acetate 1289.55
    tetrabutyl urea 993.41
    diisobutyl methanol 757.55
    2-phenylethanol 1591.14
    styrene 1940.33
    dioctyl adipate 1181.29
    dimethyl sulfate 1148.11
    ethyl butyrate 1818.18
    methyl lactate 758.78
    butyl lactate 1118.46
    diethyl carbonate 1189.88
    propanediol butyl ether 1309.61
    triethyl orthoformate 1046.3
    p-tert-butyltoluene 986.26
    methyl 4-tert-butylbenzoate 1423.81
    morpholine 3296.43
    tert-butylamine 1917.11
    n-dodecanol 765.72
    dimethoxymethane 2416.11
    ethylene carbonate 2030.76
    cyrene 980.45
    2-ethoxyethyl acetate 1676.01
    2-ethylhexyl acetate 1935.61
    1,2,4-trichlorobenzene 2776.5
    4-methylpyridine 3837.75
    dibutyl ether 1875.31
    2,6-dimethyl-4-heptanol 757.55
    DEF 2443.17
    dimethyl isosorbide 1699.46
    tetrachloroethylene 4272.34
    eugenol 1323.43
    triacetin 1426.77
    span 80 1149.86
    1,4-butanediol 803.3
    1,1-dichloroethane 4925.04
    2-methyl-1-pentanol 1801.3
    methyl formate 1566.72
    2-methyl-1-butanol 2150.85
    n-decane 586.79
    butyronitrile 2852.98
    3,7-dimethyl-1-octanol 1309.32
    1-chlorooctane 1605.12
    1-chlorotetradecane 665.22
    n-nonane 632.65
    undecane 444.57
    tert-butylcyclohexane 641.02
    cyclooctane 508.51
    cyclopentanol 2305.59
    tetrahydropyran 3703.72
    tert-amyl methyl ether 2009.64
    2,5,8-trioxanonane 1543.85
    1-hexene 2317.21
    2-isopropoxyethanol 1272.57
    2,2,2-trifluoroethanol 547.05
    methyl butyrate 2280.48

    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