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

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  • Identifiers

    CAS number
    84027-98-5

    Molecular formula
    C10H17NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 76.98%
    Vegetable 54.19%
    Earthy 53.42%
    Roasted 51.97%
    Nutty 50.03%
    Burnt 37.7%
    Fatty 36.94%
    Meaty 34.58%
    Fruity 34.08%
    Musty 34.07%

     

    Flavor
    Green 61.53%
    Earthy 52.76%
    Roasted 48.41%
    Vegetable 42.17%
    Nutty 42.05%
    Burnt 40.58%
    Pepper 36.71%
    Meaty 35.61%
    Fatty 31.19%
    Raw 30.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.72 (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

    • 86.15 ˚C est.

  • Synonyms

    • 5-BUTYL-4-ETHYL-2-METHYL-1,3-OXAZOLE
    • 5-Butyl-4-ethyl-2-methyloxazole
    • 84027-98-5
    • SCHEMBL30665031
    • 2-methyl-4-ethyl-5-butyloxazole
    • DTXSID90834194
    • CHEBI:195845
    • 84027-98-5

  • Applications

    5-Butyl-4-ethyl-2-methyl-1,3-oxazole is primarily used as a synthetic intermediate in organic chemistry. It is commonly evaluated as a building block for the synthesis of heterocyclic compounds in pharmaceutical and agricultural research, and serves as a precursor in the development of pharmaceutical and agrochemical programs. The compound can also act as a feedstock for specialty polymers and functional materials used in coatings, inks, and related industrial formulations. In research settings, it supports scaffold construction and functionalization of oxazole rings, with use governed by local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3875.34
    methanol 5303.39
    isopropanol 3057.12
    water 3.55
    ethyl acetate 2080.67
    n-propanol 3368.94
    acetone 3028.48
    n-butanol 3279.15
    acetonitrile 2227.25
    DMF 4404.56
    toluene 2099.84
    isobutanol 3086.81
    1,4-dioxane 3887.8
    methyl acetate 1929.04
    THF 5482.21
    2-butanone 2477.53
    n-pentanol 2387.89
    sec-butanol 3081.9
    n-hexane 1038.9
    ethylene glycol 635.25
    NMP 3205.9
    cyclohexane 1487.94
    DMSO 2843.03
    n-butyl acetate 2377.23
    n-octanol 1273.83
    chloroform 10710.21
    n-propyl acetate 1482.83
    acetic acid 2551.22
    dichloromethane 9173.48
    cyclohexanone 4321.13
    propylene glycol 927.37
    isopropyl acetate 1520.87
    DMAc 2848.43
    2-ethoxyethanol 1975.43
    isopentanol 2925.96
    n-heptane 432.58
    ethyl formate 1799.96
    1,2-dichloroethane 4327.91
    n-hexanol 2608.34
    2-methoxyethanol 3168.35
    isobutyl acetate 1168.16
    tetrachloromethane 1831.02
    n-pentyl acetate 1399.94
    transcutol 2903.39
    n-heptanol 1071.87
    ethylbenzene 1114.52
    MIBK 1435.58
    2-propoxyethanol 2563.41
    tert-butanol 2844.12
    MTBE 2964.98
    2-butoxyethanol 1305.12
    propionic acid 1947.09
    o-xylene 1030.23
    formic acid 796.75
    diethyl ether 2892.56
    m-xylene 1117.2
    p-xylene 1477.11
    chlorobenzene 2965.32
    dimethyl carbonate 775.32
    n-octane 216.97
    formamide 837.98
    cyclopentanone 3868.74
    2-pentanone 2166.11
    anisole 1487.19
    cyclopentyl methyl ether 2700.14
    gamma-butyrolactone 3849.61
    1-methoxy-2-propanol 2197.33
    pyridine 4181.37
    3-pentanone 1658.45
    furfural 3134.02
    n-dodecane 171.29
    diethylene glycol 1367.38
    diisopropyl ether 864.2
    tert-amyl alcohol 2715.13
    acetylacetone 1918.97
    n-hexadecane 194.19
    acetophenone 1239.97
    methyl propionate 1631.44
    isopentyl acetate 2035.79
    trichloroethylene 7598.16
    n-nonanol 1015.92
    cyclohexanol 3171.33
    benzyl alcohol 1500.18
    2-ethylhexanol 1377.27
    isooctanol 833.74
    dipropyl ether 1374.4
    1,2-dichlorobenzene 2175.57
    ethyl lactate 546.72
    propylene carbonate 2344.9
    n-methylformamide 1972.92
    2-pentanol 2122.95
    n-pentane 817.87
    1-propoxy-2-propanol 1634.33
    1-methoxy-2-propyl acetate 1339.92
    2-(2-methoxypropoxy) propanol 923.51
    mesitylene 670.66
    ε-caprolactone 3188.25
    p-cymene 575.28
    epichlorohydrin 4289.27
    1,1,1-trichloroethane 4056.05
    2-aminoethanol 1353.64
    morpholine-4-carbaldehyde 2753.78
    sulfolane 3528.48
    2,2,4-trimethylpentane 364.68
    2-methyltetrahydrofuran 4143.54
    n-hexyl acetate 1965.06
    isooctane 250.05
    2-(2-butoxyethoxy)ethanol 1229.07
    sec-butyl acetate 1037.78
    tert-butyl acetate 1333.11
    decalin 514.2
    glycerin 928.92
    diglyme 2135.47
    acrylic acid 1467.58
    isopropyl myristate 670.79
    n-butyric acid 3025.72
    acetyl acetate 1293.95
    di(2-ethylhexyl) phthalate 650.4
    ethyl propionate 1157.96
    nitromethane 2520.06
    1,2-diethoxyethane 1607.23
    benzonitrile 2282.8
    trioctyl phosphate 493.34
    1-bromopropane 3673.83
    gamma-valerolactone 4138.69
    n-decanol 688.46
    triethyl phosphate 465.55
    4-methyl-2-pentanol 1126.01
    propionitrile 2548.43
    vinylene carbonate 2272.54
    1,1,2-trichlorotrifluoroethane 2293.74
    DMS 1123.6
    cumene 702.65
    2-octanol 908.64
    2-hexanone 1709.99
    octyl acetate 897.1
    limonene 966.04
    1,2-dimethoxyethane 3606.93
    ethyl orthosilicate 497.44
    tributyl phosphate 625.97
    diacetone alcohol 1196.12
    N,N-dimethylaniline 1082.3
    acrylonitrile 2457.73
    aniline 2095.94
    1,3-propanediol 1882.66
    bromobenzene 3394.25
    dibromomethane 6387.87
    1,1,2,2-tetrachloroethane 6028.37
    2-methyl-cyclohexyl acetate 925.02
    tetrabutyl urea 785.55
    diisobutyl methanol 625.64
    2-phenylethanol 1412.76
    styrene 1530.25
    dioctyl adipate 849.73
    dimethyl sulfate 1010.93
    ethyl butyrate 1202.44
    methyl lactate 693.16
    butyl lactate 908.03
    diethyl carbonate 738.33
    propanediol butyl ether 1176.52
    triethyl orthoformate 761.69
    p-tert-butyltoluene 549.72
    methyl 4-tert-butylbenzoate 998.4
    morpholine 4610.07
    tert-butylamine 2260.95
    n-dodecanol 509.08
    dimethoxymethane 2503.09
    ethylene carbonate 2036.89
    cyrene 826.27
    2-ethoxyethyl acetate 1307.83
    2-ethylhexyl acetate 1525.47
    1,2,4-trichlorobenzene 2268.45
    4-methylpyridine 4248.57
    dibutyl ether 1447.06
    2,6-dimethyl-4-heptanol 625.64
    DEF 2496.17
    dimethyl isosorbide 1448.83
    tetrachloroethylene 4352.86
    eugenol 981.44
    triacetin 1048.54
    span 80 1031.93
    1,4-butanediol 986.16
    1,1-dichloroethane 4840.6
    2-methyl-1-pentanol 2276.66
    methyl formate 1576.75
    2-methyl-1-butanol 2889.16
    n-decane 289.92
    butyronitrile 3353.54
    3,7-dimethyl-1-octanol 1057.58
    1-chlorooctane 1020.01
    1-chlorotetradecane 365.06
    n-nonane 317.37
    undecane 213.63
    tert-butylcyclohexane 441.36
    cyclooctane 398.74
    cyclopentanol 3010.19
    tetrahydropyran 4874.51
    tert-amyl methyl ether 1901.5
    2,5,8-trioxanonane 1333.8
    1-hexene 2536.35
    2-isopropoxyethanol 1311.91
    2,2,2-trifluoroethanol 659.35
    methyl butyrate 1885.87

    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