4-Ethyl-5-methyl-2-propyloxazole

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  • Identifiers

    CAS number
    84027-94-1

    Molecular formula
    C9H15NO

    SMILES
    CCCC1=NC(=C(O1)C)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 72.45%
    Roasted 57.72%
    Earthy 54.18%
    Nutty 53.67%
    Vegetable 51.43%
    Burnt 43.0%
    Fatty 38.93%
    Musty 37.29%
    Meaty 34.65%
    Fruity 34.2%

     

    Flavor
    Green 54.37%
    Roasted 53.92%
    Earthy 50.31%
    Burnt 44.7%
    Vegetable 41.98%
    Nutty 41.54%
    Meaty 33.03%
    Pepper 31.16%
    Potato 30.86%
    Raw 28.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.45 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    195°C

    Flash point

    • 69.15 ˚C est.

  • Synonyms

    • 4-Ethyl-5-methyl-2-propyloxazole
    • 4-Ethyl-5-methyl-2-propyl-1,3-oxazole
    • Oxazole, 4-ethyl-5-methyl-2-propyl
    • 2-n-Propyl-4-ethyl-5-methyloxazole
    • CHEBI:196454
    • NUKWARDPXKRLRG-UHFFFAOYSA-N
    • DTXSID101303137
    • 84027-94-1
    • 4-Ethyl-5-methyl-2-propyl-1,3-oxazole #
    • Q63398139
    • 84027-94-1

  • Applications

    4-Ethyl-5-methyl-2-propyloxazole (CAS 84027-94-1) is primarily viewed as an organic intermediate, used as a building block for the synthesis of more complex oxazole compounds and for assembling compound libraries in pharmaceutical research. It is also considered a scaffold for derivatives used in agricultural chemicals, supporting the development of precursors for bioactive agrochemicals. In materials science, it can serve as a building block for functional polymers or crosslinking systems; it is also being investigated as a precursor for dyes and pigmenting agents and as a platform for coatings and inks. Its actual use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5276.34
    methanol 6938.13
    isopropanol 3906.12
    water 11.81
    ethyl acetate 2761.51
    n-propanol 4447.99
    acetone 3599.96
    n-butanol 4243.81
    acetonitrile 3813.45
    DMF 4497.05
    toluene 2739.93
    isobutanol 3646.73
    1,4-dioxane 4967.26
    methyl acetate 2484.97
    THF 6581.61
    2-butanone 2927.64
    n-pentanol 3354.07
    sec-butanol 3823.59
    n-hexane 1942.03
    ethylene glycol 776.36
    NMP 3592.06
    cyclohexane 2482.67
    DMSO 3287.05
    n-butyl acetate 3008.32
    n-octanol 2114.73
    chloroform 15539.67
    n-propyl acetate 2070.12
    acetic acid 3590.72
    dichloromethane 14214.74
    cyclohexanone 4967.17
    propylene glycol 1135.7
    isopropyl acetate 1764.29
    DMAc 2954.97
    2-ethoxyethanol 2612.99
    isopentanol 3347.25
    n-heptane 907.06
    ethyl formate 2536.6
    1,2-dichloroethane 5864.17
    n-hexanol 3402.73
    2-methoxyethanol 3750.83
    isobutyl acetate 1437.14
    tetrachloromethane 2965.2
    n-pentyl acetate 1928.36
    transcutol 3835.01
    n-heptanol 1555.72
    ethylbenzene 1681.11
    MIBK 1613.91
    2-propoxyethanol 3115.99
    tert-butanol 3481.19
    MTBE 3295.94
    2-butoxyethanol 1681.62
    propionic acid 2593.95
    o-xylene 1403.62
    formic acid 1176.25
    diethyl ether 3905.15
    m-xylene 1445.04
    p-xylene 2401.41
    chlorobenzene 4126.24
    dimethyl carbonate 1054.12
    n-octane 462.73
    formamide 1310.2
    cyclopentanone 4566.64
    2-pentanone 2618.02
    anisole 2140.7
    cyclopentyl methyl ether 3378.19
    gamma-butyrolactone 4815.02
    1-methoxy-2-propanol 2507.17
    pyridine 5635.04
    3-pentanone 2000.39
    furfural 3988.46
    n-dodecane 328.13
    diethylene glycol 1567.25
    diisopropyl ether 1170.07
    tert-amyl alcohol 3294.8
    acetylacetone 2237.33
    n-hexadecane 363.19
    acetophenone 1751.59
    methyl propionate 2081.77
    isopentyl acetate 2314.17
    trichloroethylene 10245.3
    n-nonanol 1628.14
    cyclohexanol 3924.41
    benzyl alcohol 1991.29
    2-ethylhexanol 1951.24
    isooctanol 1171.53
    dipropyl ether 2043.07
    1,2-dichlorobenzene 3064.64
    ethyl lactate 729.67
    propylene carbonate 2823.49
    n-methylformamide 2593.64
    2-pentanol 2795.99
    n-pentane 1470.96
    1-propoxy-2-propanol 2037.46
    1-methoxy-2-propyl acetate 1523.62
    2-(2-methoxypropoxy) propanol 1175.04
    mesitylene 908.58
    ε-caprolactone 3864.5
    p-cymene 861.27
    epichlorohydrin 5589.69
    1,1,1-trichloroethane 5281.46
    2-aminoethanol 1741.93
    morpholine-4-carbaldehyde 3173.09
    sulfolane 4255.78
    2,2,4-trimethylpentane 587.97
    2-methyltetrahydrofuran 5017.24
    n-hexyl acetate 2849.59
    isooctane 394.31
    2-(2-butoxyethoxy)ethanol 1678.63
    sec-butyl acetate 1292.41
    tert-butyl acetate 1591.04
    decalin 798.36
    glycerin 1089.53
    diglyme 2815.85
    acrylic acid 2038.78
    isopropyl myristate 946.97
    n-butyric acid 3888.6
    acetyl acetate 1802.65
    di(2-ethylhexyl) phthalate 857.02
    ethyl propionate 1717.25
    nitromethane 3807.6
    1,2-diethoxyethane 2262.57
    benzonitrile 3375.2
    trioctyl phosphate 662.98
    1-bromopropane 5236.81
    gamma-valerolactone 4645.02
    n-decanol 1082.8
    triethyl phosphate 645.77
    4-methyl-2-pentanol 1348.25
    propionitrile 3681.78
    vinylene carbonate 3001.95
    1,1,2-trichlorotrifluoroethane 2855.19
    DMS 1485.4
    cumene 1072.59
    2-octanol 1404.47
    2-hexanone 2300.35
    octyl acetate 1279.94
    limonene 1318.38
    1,2-dimethoxyethane 4504.66
    ethyl orthosilicate 675.28
    tributyl phosphate 861.84
    diacetone alcohol 1346.54
    N,N-dimethylaniline 1507.9
    acrylonitrile 3622.55
    aniline 2672.07
    1,3-propanediol 2305.37
    bromobenzene 4860.34
    dibromomethane 9856.94
    1,1,2,2-tetrachloroethane 7665.43
    2-methyl-cyclohexyl acetate 1265.96
    tetrabutyl urea 1054.07
    diisobutyl methanol 814.61
    2-phenylethanol 1806.5
    styrene 2263.76
    dioctyl adipate 1209.99
    dimethyl sulfate 1250.5
    ethyl butyrate 1722.96
    methyl lactate 839.98
    butyl lactate 1173.0
    diethyl carbonate 1125.72
    propanediol butyl ether 1569.09
    triethyl orthoformate 1064.74
    p-tert-butyltoluene 774.7
    methyl 4-tert-butylbenzoate 1334.57
    morpholine 5496.72
    tert-butylamine 2986.53
    n-dodecanol 800.32
    dimethoxymethane 2970.05
    ethylene carbonate 2605.98
    cyrene 1017.37
    2-ethoxyethyl acetate 1713.75
    2-ethylhexyl acetate 1832.79
    1,2,4-trichlorobenzene 3269.87
    4-methylpyridine 5305.99
    dibutyl ether 2347.77
    2,6-dimethyl-4-heptanol 814.61
    DEF 2937.72
    dimethyl isosorbide 1740.53
    tetrachloroethylene 5854.64
    eugenol 1325.41
    triacetin 1461.97
    span 80 1306.94
    1,4-butanediol 1321.09
    1,1-dichloroethane 6466.41
    2-methyl-1-pentanol 2931.15
    methyl formate 2147.14
    2-methyl-1-butanol 3474.77
    n-decane 566.36
    butyronitrile 4847.68
    3,7-dimethyl-1-octanol 1525.51
    1-chlorooctane 1684.37
    1-chlorotetradecane 605.28
    n-nonane 648.1
    undecane 408.48
    tert-butylcyclohexane 689.85
    cyclooctane 719.1
    cyclopentanol 3778.34
    tetrahydropyran 6088.91
    tert-amyl methyl ether 2226.73
    2,5,8-trioxanonane 1717.58
    1-hexene 3900.08
    2-isopropoxyethanol 1652.78
    2,2,2-trifluoroethanol 933.87
    methyl butyrate 2551.49

    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