2-Ethyl-4-methyl-5-propyloxazole

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  • Identifiers

    CAS number
    102586-53-8

    Molecular formula
    C9H15NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 76.82%
    Earthy 57.52%
    Nutty 56.15%
    Roasted 54.97%
    Vegetable 53.27%
    Burnt 40.32%
    Musty 38.44%
    Fatty 36.78%
    Fruity 33.73%
    Meaty 32.07%

     

    Flavor
    Green 64.12%
    Earthy 51.84%
    Roasted 48.39%
    Nutty 44.57%
    Vegetable 43.88%
    Burnt 40.87%
    Pepper 32.69%
    Raw 30.55%
    Potato 30.49%
    Meaty 29.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.36 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 209.00 to 210.00 °C. @ 760.00 mm Hg

    Flash point

    • 70.16 ˚C est.

  • Synonyms

    • 2-ethyl-4-methyl-5-propyloxazole
    • 2-ethyl-4-methyl-5-propyl-1,3-oxazole
    • 102586-53-8
    • RefChem:86905
    • FDMDJAGBUGUESB-UHFFFAOYSA-N
    • CHEBI:196456
    • DTXSID801301637
    • Oxazole, 2-ethyl-4-methyl-5-propyl
    • 102586-53-8

  • Applications

    2-Ethyl-4-methyl-5-propyloxazole, CAS 102586-53-8, is primarily used as an intermediate and building block in the synthesis of heterocyclic compounds for pharmaceutical and agricultural R&D; it can serve as a precursor for derivatives in drug discovery and agrochemical lead development. In research and development settings, the compound is evaluated as a foundation for synthetic sequences to explore structure–activity relationships within oxazole-based frameworks. Additionally, it may function as a starting material for materials-focused applications at the laboratory scale, such as a basis for polymer or coating systems, subject to formulation constraints and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3496.31
    methanol 4826.44
    isopropanol 2726.77
    water 10.24
    ethyl acetate 2214.83
    n-propanol 3139.35
    acetone 2897.73
    n-butanol 3030.59
    acetonitrile 2559.86
    DMF 4452.16
    toluene 2007.65
    isobutanol 2742.88
    1,4-dioxane 3655.79
    methyl acetate 2130.87
    THF 4656.66
    2-butanone 2614.71
    n-pentanol 2547.95
    sec-butanol 2883.12
    n-hexane 1123.8
    ethylene glycol 715.35
    NMP 3191.22
    cyclohexane 1189.0
    DMSO 2921.95
    n-butyl acetate 2412.9
    n-octanol 1620.56
    chloroform 11225.14
    n-propyl acetate 1774.63
    acetic acid 2165.55
    dichloromethane 10613.25
    cyclohexanone 3887.57
    propylene glycol 950.05
    isopropyl acetate 1501.09
    DMAc 3161.35
    2-ethoxyethanol 2345.09
    isopentanol 2564.36
    n-heptane 503.93
    ethyl formate 2075.59
    1,2-dichloroethane 4862.73
    n-hexanol 2360.77
    2-methoxyethanol 3413.81
    isobutyl acetate 1302.26
    tetrachloromethane 2203.13
    n-pentyl acetate 1676.57
    transcutol 3113.8
    n-heptanol 1223.49
    ethylbenzene 1451.12
    MIBK 1430.16
    2-propoxyethanol 2616.34
    tert-butanol 2585.77
    MTBE 2737.98
    2-butoxyethanol 1568.46
    propionic acid 1817.47
    o-xylene 1226.78
    formic acid 814.25
    diethyl ether 2631.14
    m-xylene 1254.93
    p-xylene 1954.6
    chlorobenzene 3033.72
    dimethyl carbonate 979.29
    n-octane 309.55
    formamide 959.21
    cyclopentanone 3731.94
    2-pentanone 2237.95
    anisole 1949.59
    cyclopentyl methyl ether 2448.2
    gamma-butyrolactone 3938.32
    1-methoxy-2-propanol 2287.97
    pyridine 4095.52
    3-pentanone 1754.27
    furfural 3697.99
    n-dodecane 257.08
    diethylene glycol 1508.66
    diisopropyl ether 894.66
    tert-amyl alcohol 2618.98
    acetylacetone 2116.39
    n-hexadecane 283.28
    acetophenone 1687.46
    methyl propionate 1821.36
    isopentyl acetate 2019.23
    trichloroethylene 8582.37
    n-nonanol 1265.82
    cyclohexanol 2537.92
    benzyl alcohol 1790.27
    2-ethylhexanol 1418.43
    isooctanol 996.88
    dipropyl ether 1477.24
    1,2-dichlorobenzene 2607.32
    ethyl lactate 758.28
    propylene carbonate 2415.92
    n-methylformamide 2223.03
    2-pentanol 2038.28
    n-pentane 805.38
    1-propoxy-2-propanol 1663.64
    1-methoxy-2-propyl acetate 1426.16
    2-(2-methoxypropoxy) propanol 1117.83
    mesitylene 828.38
    ε-caprolactone 3132.19
    p-cymene 765.14
    epichlorohydrin 4785.15
    1,1,1-trichloroethane 4307.2
    2-aminoethanol 1472.73
    morpholine-4-carbaldehyde 3055.07
    sulfolane 3735.14
    2,2,4-trimethylpentane 444.71
    2-methyltetrahydrofuran 3608.44
    n-hexyl acetate 2343.14
    isooctane 308.72
    2-(2-butoxyethoxy)ethanol 1414.2
    sec-butyl acetate 1191.07
    tert-butyl acetate 1410.41
    decalin 581.62
    glycerin 1038.98
    diglyme 2617.95
    acrylic acid 1532.97
    isopropyl myristate 842.04
    n-butyric acid 2671.6
    acetyl acetate 1451.84
    di(2-ethylhexyl) phthalate 780.06
    ethyl propionate 1492.82
    nitromethane 2899.49
    1,2-diethoxyethane 1832.7
    benzonitrile 2855.44
    trioctyl phosphate 590.84
    1-bromopropane 3694.32
    gamma-valerolactone 4112.56
    n-decanol 868.39
    triethyl phosphate 609.63
    4-methyl-2-pentanol 1091.82
    propionitrile 2682.67
    vinylene carbonate 2646.63
    1,1,2-trichlorotrifluoroethane 2601.02
    DMS 1416.74
    cumene 968.7
    2-octanol 1132.82
    2-hexanone 1943.98
    octyl acetate 1104.81
    limonene 1084.24
    1,2-dimethoxyethane 3907.93
    ethyl orthosilicate 645.66
    tributyl phosphate 741.48
    diacetone alcohol 1223.58
    N,N-dimethylaniline 1467.84
    acrylonitrile 2934.61
    aniline 2023.02
    1,3-propanediol 1967.74
    bromobenzene 3639.25
    dibromomethane 7162.99
    1,1,2,2-tetrachloroethane 6530.25
    2-methyl-cyclohexyl acetate 1081.8
    tetrabutyl urea 931.22
    diisobutyl methanol 683.02
    2-phenylethanol 1559.68
    styrene 1867.77
    dioctyl adipate 1048.69
    dimethyl sulfate 1279.03
    ethyl butyrate 1463.63
    methyl lactate 834.11
    butyl lactate 1112.48
    diethyl carbonate 999.17
    propanediol butyl ether 1398.81
    triethyl orthoformate 909.68
    p-tert-butyltoluene 715.87
    methyl 4-tert-butylbenzoate 1325.87
    morpholine 3854.88
    tert-butylamine 2241.47
    n-dodecanol 656.27
    dimethoxymethane 2654.49
    ethylene carbonate 2203.61
    cyrene 990.6
    2-ethoxyethyl acetate 1541.94
    2-ethylhexyl acetate 1612.19
    1,2,4-trichlorobenzene 2825.12
    4-methylpyridine 4262.77
    dibutyl ether 1676.47
    2,6-dimethyl-4-heptanol 683.02
    DEF 2722.74
    dimethyl isosorbide 1580.85
    tetrachloroethylene 4837.38
    eugenol 1315.29
    triacetin 1350.37
    span 80 1133.13
    1,4-butanediol 1167.11
    1,1-dichloroethane 5057.89
    2-methyl-1-pentanol 2309.18
    methyl formate 1911.61
    2-methyl-1-butanol 2686.85
    n-decane 422.83
    butyronitrile 3391.77
    3,7-dimethyl-1-octanol 1244.67
    1-chlorooctane 1327.18
    1-chlorotetradecane 505.99
    n-nonane 453.09
    undecane 314.35
    tert-butylcyclohexane 528.96
    cyclooctane 410.59
    cyclopentanol 2577.67
    tetrahydropyran 3837.66
    tert-amyl methyl ether 1967.27
    2,5,8-trioxanonane 1557.94
    1-hexene 2470.24
    2-isopropoxyethanol 1541.39
    2,2,2-trifluoroethanol 696.71
    methyl butyrate 2338.08

    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