5-Ethyl-2-isopropyl-4-methyloxazole

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  • Identifiers

    CAS number
    102586-54-9

    Molecular formula
    C9H15NO

    SMILES
    CCC1=C(N=C(O1)C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 83.66%
    Earthy 63.67%
    Vegetable 54.28%
    Nutty 53.86%
    Roasted 46.27%
    Musty 37.2%
    Burnt 35.41%
    Potato 34.4%
    Leafy 33.21%
    Cocoa 31.57%

     

    Flavor
    Green 70.69%
    Earthy 54.2%
    Vegetable 40.2%
    Earth 36.61%
    Pepper 35.67%
    Roasted 35.08%
    Burnt 33.6%
    Nutty 31.02%
    Raw 30.62%
    Pea 28.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.11 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    162°C

    Flash point

    • 64.29 ˚C est.

  • Synonyms

    • 5-Ethyl-2-isopropyl-4-methyloxazole
    • 102586-54-9
    • 5-ethyl-4-methyl-2-propan-2-yl-1,3-oxazole
    • 5-Ethyl-4-methyl-2-(1-methylethyl)oxazole
    • Oxazole, 5-ethyl-4-methyl-2-(1-methylethyl)- (9CI)
    • Oxazole, 5-ethyl-4-methyl-2-(1-methylethyl)-
    • 5-ethyl-4-methyl-2-(propan-2-yl)-1,3-oxazole
    • SCHEMBL24701380
    • CHEBI:196457
    • IEYWMNYHQSDLRX-UHFFFAOYSA-N
    • DTXSID301270156
    • DB-288276
    • 5-Ethyl-2-isopropyl-4-methyl-1,3-oxazole #
    • 5-Ethyl-4-methyl-2-(1-methylethyl)oxazole, 9CI
    • 102586-54-9

  • Applications

    5-Ethyl-2-isopropyl-4-methyloxazole (CAS 102586-54-9) is primarily used as a synthetic building block in organic synthesis. In industry it is commonly evaluated as an intermediate for oxazole-containing compounds in pharmaceutical and agrochemical development. It can serve as a core scaffold for medicinal chemistry programs and for constructing heterocyclic libraries. The compound may also find use in perfumery and flavor applications as a specialty odorant note or fragrance ingredient. In materials science and polymer chemistry, it can act as a functional building block for oxazole-containing polymers or coatings. Its actual applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2435.18
    methanol 2576.45
    isopropanol 2005.93
    water 6.35
    ethyl acetate 2169.83
    n-propanol 2240.45
    acetone 2805.24
    n-butanol 2094.71
    acetonitrile 2095.86
    DMF 3197.78
    toluene 2036.95
    isobutanol 1937.77
    1,4-dioxane 3055.34
    methyl acetate 2174.89
    THF 4428.38
    2-butanone 2730.79
    n-pentanol 1760.26
    sec-butanol 2236.54
    n-hexane 920.5
    ethylene glycol 410.84
    NMP 2568.94
    cyclohexane 1026.95
    DMSO 2139.16
    n-butyl acetate 2674.21
    n-octanol 1480.83
    chloroform 8991.67
    n-propyl acetate 1869.75
    acetic acid 1377.45
    dichloromethane 8965.89
    cyclohexanone 3422.46
    propylene glycol 624.57
    isopropyl acetate 1439.4
    DMAc 2550.4
    2-ethoxyethanol 1777.23
    isopentanol 1833.25
    n-heptane 608.26
    ethyl formate 1917.13
    1,2-dichloroethane 3935.24
    n-hexanol 1991.31
    2-methoxyethanol 2314.1
    isobutyl acetate 1311.66
    tetrachloromethane 2152.55
    n-pentyl acetate 1761.24
    transcutol 2485.36
    n-heptanol 1201.95
    ethylbenzene 1544.97
    MIBK 1334.01
    2-propoxyethanol 2073.77
    tert-butanol 2075.47
    MTBE 2400.83
    2-butoxyethanol 1410.24
    propionic acid 1344.68
    o-xylene 1385.78
    formic acid 419.88
    diethyl ether 2468.92
    m-xylene 1416.9
    p-xylene 2271.33
    chlorobenzene 2618.24
    dimethyl carbonate 850.33
    n-octane 389.05
    formamide 628.65
    cyclopentanone 3418.39
    2-pentanone 2181.18
    anisole 1946.23
    cyclopentyl methyl ether 2225.51
    gamma-butyrolactone 3489.99
    1-methoxy-2-propanol 1678.1
    pyridine 3438.66
    3-pentanone 1826.8
    furfural 3269.18
    n-dodecane 321.08
    diethylene glycol 1020.96
    diisopropyl ether 890.17
    tert-amyl alcohol 2111.37
    acetylacetone 2037.88
    n-hexadecane 355.96
    acetophenone 1804.15
    methyl propionate 1716.71
    isopentyl acetate 2118.44
    trichloroethylene 7073.32
    n-nonanol 1183.42
    cyclohexanol 1909.07
    benzyl alcohol 1509.9
    2-ethylhexanol 1340.13
    isooctanol 967.78
    dipropyl ether 1604.52
    1,2-dichlorobenzene 2321.04
    ethyl lactate 705.21
    propylene carbonate 2251.5
    n-methylformamide 1636.04
    2-pentanol 1564.93
    n-pentane 722.61
    1-propoxy-2-propanol 1443.66
    1-methoxy-2-propyl acetate 1435.67
    2-(2-methoxypropoxy) propanol 1027.05
    mesitylene 958.05
    ε-caprolactone 2843.63
    p-cymene 983.54
    epichlorohydrin 4266.05
    1,1,1-trichloroethane 4414.66
    2-aminoethanol 867.47
    morpholine-4-carbaldehyde 2599.07
    sulfolane 2995.68
    2,2,4-trimethylpentane 430.69
    2-methyltetrahydrofuran 3503.95
    n-hexyl acetate 2339.91
    isooctane 315.39
    2-(2-butoxyethoxy)ethanol 1311.55
    sec-butyl acetate 1205.38
    tert-butyl acetate 1380.86
    decalin 556.65
    glycerin 620.91
    diglyme 2439.46
    acrylic acid 1101.04
    isopropyl myristate 936.41
    n-butyric acid 1966.23
    acetyl acetate 1354.25
    di(2-ethylhexyl) phthalate 763.68
    ethyl propionate 1571.56
    nitromethane 2162.54
    1,2-diethoxyethane 1806.84
    benzonitrile 2551.84
    trioctyl phosphate 619.39
    1-bromopropane 3121.76
    gamma-valerolactone 3734.93
    n-decanol 869.7
    triethyl phosphate 663.49
    4-methyl-2-pentanol 877.84
    propionitrile 2085.41
    vinylene carbonate 2418.21
    1,1,2-trichlorotrifluoroethane 2167.36
    DMS 1453.58
    cumene 1093.18
    2-octanol 1154.8
    2-hexanone 1997.6
    octyl acetate 1209.85
    limonene 1225.59
    1,2-dimethoxyethane 3083.81
    ethyl orthosilicate 654.79
    tributyl phosphate 763.59
    diacetone alcohol 1153.15
    N,N-dimethylaniline 1450.63
    acrylonitrile 2326.13
    aniline 1651.5
    1,3-propanediol 1263.27
    bromobenzene 3305.55
    dibromomethane 6154.15
    1,1,2,2-tetrachloroethane 5415.31
    2-methyl-cyclohexyl acetate 1216.1
    tetrabutyl urea 918.06
    diisobutyl methanol 689.8
    2-phenylethanol 1516.77
    styrene 1819.51
    dioctyl adipate 1100.55
    dimethyl sulfate 1057.29
    ethyl butyrate 1755.83
    methyl lactate 694.48
    butyl lactate 1044.75
    diethyl carbonate 1145.67
    propanediol butyl ether 1214.79
    triethyl orthoformate 1005.45
    p-tert-butyltoluene 907.85
    methyl 4-tert-butylbenzoate 1345.5
    morpholine 3024.89
    tert-butylamine 1743.12
    n-dodecanol 691.82
    dimethoxymethane 2270.1
    ethylene carbonate 1903.21
    cyrene 923.72
    2-ethoxyethyl acetate 1629.67
    2-ethylhexyl acetate 1832.76
    1,2,4-trichlorobenzene 2580.4
    4-methylpyridine 3613.47
    dibutyl ether 1690.98
    2,6-dimethyl-4-heptanol 689.8
    DEF 2307.54
    dimethyl isosorbide 1617.1
    tetrachloroethylene 3995.44
    eugenol 1262.49
    triacetin 1356.72
    span 80 1073.69
    1,4-butanediol 767.2
    1,1-dichloroethane 4587.36
    2-methyl-1-pentanol 1665.42
    methyl formate 1512.69
    2-methyl-1-butanol 1954.68
    n-decane 506.54
    butyronitrile 2662.7
    3,7-dimethyl-1-octanol 1192.9
    1-chlorooctane 1430.64
    1-chlorotetradecane 595.67
    n-nonane 542.69
    undecane 385.94
    tert-butylcyclohexane 548.0
    cyclooctane 426.89
    cyclopentanol 2026.72
    tetrahydropyran 3332.7
    tert-amyl methyl ether 1879.49
    2,5,8-trioxanonane 1497.66
    1-hexene 2024.88
    2-isopropoxyethanol 1258.63
    2,2,2-trifluoroethanol 516.23
    methyl butyrate 2223.07

    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