2-Methyl-4-ethyl-5-propyloxazole

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  • Identifiers

    CAS number
    88300-06-5

    Molecular formula
    C9H15NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 77.61%
    Roasted 57.45%
    Earthy 56.43%
    Nutty 56.08%
    Vegetable 55.65%
    Burnt 42.43%
    Musty 37.69%
    Fatty 36.48%
    Fruity 36.35%
    Meaty 36.24%

     

    Flavor
    Roasted 55.71%
    Earthy 51.54%
    Green 50.26%
    Burnt 46.06%
    Nutty 45.22%
    Vegetable 42.85%
    Meaty 35.45%
    Potato 33.34%
    Pepper 31.29%
    Raw 28.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.73 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 72.32 ˚C est.

  • Synonyms

    • 2-methyl-4-ethyl-5-propyloxazole
    • 4-ethyl-2-methyl-5-propyl-1,3-oxazole
    • 4-Ethyl-2-methyl-5-propyloxazole
    • 88300-06-5
    • DTXSID00335546
    • CHEBI:196455
    • OJFZPFCEFJXLIK-UHFFFAOYSA-N
    • 88300-06-5

  • Applications

    2-Methyl-4-ethyl-5-propyloxazole, CAS 88300-06-5, is primarily used as an organic synthesis intermediate and building block, commonly employed in the preparation of more complex compounds for pharmaceutical and agrochemical applications. It may also function as an odorant or fragrance ingredient in perfumery and personal care formulations. In the polymers and coatings sector, this oxazole can serve as a building block or intermediate for advanced polymers and coating formulations, and it can be used as a precursor for inks and adhesives in industrial manufacturing, depending on formulation and regulatory constraints. As with many specialty organics, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2271.89
    methanol 3104.22
    isopropanol 1708.71
    water 6.41
    ethyl acetate 1369.8
    n-propanol 2013.73
    acetone 2027.0
    n-butanol 1894.33
    acetonitrile 1791.59
    DMF 3137.2
    toluene 1497.55
    isobutanol 1624.07
    1,4-dioxane 2652.94
    methyl acetate 1401.9
    THF 3898.96
    2-butanone 1547.1
    n-pentanol 1512.04
    sec-butanol 1715.02
    n-hexane 805.76
    ethylene glycol 509.52
    NMP 2513.88
    cyclohexane 1089.34
    DMSO 2330.78
    n-butyl acetate 1492.92
    n-octanol 1120.08
    chloroform 8021.41
    n-propyl acetate 1062.61
    acetic acid 1590.1
    dichloromethane 8169.07
    cyclohexanone 2860.82
    propylene glycol 653.78
    isopropyl acetate 880.0
    DMAc 2023.55
    2-ethoxyethanol 1314.59
    isopentanol 1423.39
    n-heptane 493.2
    ethyl formate 1311.64
    1,2-dichloroethane 3500.25
    n-hexanol 1701.71
    2-methoxyethanol 2050.12
    isobutyl acetate 741.5
    tetrachloromethane 1520.92
    n-pentyl acetate 1082.68
    transcutol 1890.11
    n-heptanol 814.69
    ethylbenzene 995.39
    MIBK 894.87
    2-propoxyethanol 1714.86
    tert-butanol 1597.21
    MTBE 1441.28
    2-butoxyethanol 907.28
    propionic acid 1300.71
    o-xylene 887.69
    formic acid 503.31
    diethyl ether 1711.92
    m-xylene 923.44
    p-xylene 1317.16
    chlorobenzene 2381.79
    dimethyl carbonate 725.74
    n-octane 262.49
    formamide 615.47
    cyclopentanone 2803.25
    2-pentanone 1433.62
    anisole 1311.25
    cyclopentyl methyl ether 1933.55
    gamma-butyrolactone 2963.51
    1-methoxy-2-propanol 1428.88
    pyridine 2903.62
    3-pentanone 1091.58
    furfural 2686.2
    n-dodecane 224.29
    diethylene glycol 976.05
    diisopropyl ether 542.74
    tert-amyl alcohol 1471.67
    acetylacetone 1380.32
    n-hexadecane 249.23
    acetophenone 1120.98
    methyl propionate 1255.1
    isopentyl acetate 1173.94
    trichloroethylene 6033.87
    n-nonanol 887.87
    cyclohexanol 1837.19
    benzyl alcohol 1134.93
    2-ethylhexanol 1009.43
    isooctanol 645.77
    dipropyl ether 1146.18
    1,2-dichlorobenzene 1977.01
    ethyl lactate 519.24
    propylene carbonate 1781.33
    n-methylformamide 1526.6
    2-pentanol 1203.89
    n-pentane 665.94
    1-propoxy-2-propanol 1093.97
    1-methoxy-2-propyl acetate 969.16
    2-(2-methoxypropoxy) propanol 796.08
    mesitylene 620.3
    ε-caprolactone 2110.59
    p-cymene 584.89
    epichlorohydrin 3399.73
    1,1,1-trichloroethane 3082.01
    2-aminoethanol 947.76
    morpholine-4-carbaldehyde 2140.43
    sulfolane 3089.68
    2,2,4-trimethylpentane 303.25
    2-methyltetrahydrofuran 2551.26
    n-hexyl acetate 1617.36
    isooctane 219.04
    2-(2-butoxyethoxy)ethanol 1004.63
    sec-butyl acetate 659.2
    tert-butyl acetate 869.24
    decalin 461.53
    glycerin 710.3
    diglyme 1673.51
    acrylic acid 1092.64
    isopropyl myristate 634.78
    n-butyric acid 1702.0
    acetyl acetate 940.1
    di(2-ethylhexyl) phthalate 597.98
    ethyl propionate 965.85
    nitromethane 2001.53
    1,2-diethoxyethane 1116.01
    benzonitrile 1905.22
    trioctyl phosphate 468.41
    1-bromopropane 2689.81
    gamma-valerolactone 2790.02
    n-decanol 636.22
    triethyl phosphate 456.03
    4-methyl-2-pentanol 643.58
    propionitrile 1843.94
    vinylene carbonate 1997.0
    1,1,2-trichlorotrifluoroethane 1769.28
    DMS 1042.64
    cumene 666.17
    2-octanol 765.53
    2-hexanone 1137.24
    octyl acetate 832.57
    limonene 872.91
    1,2-dimethoxyethane 2307.94
    ethyl orthosilicate 439.74
    tributyl phosphate 569.16
    diacetone alcohol 819.26
    N,N-dimethylaniline 998.84
    acrylonitrile 2073.67
    aniline 1368.16
    1,3-propanediol 1184.69
    bromobenzene 2927.97
    dibromomethane 5523.21
    1,1,2,2-tetrachloroethane 4507.78
    2-methyl-cyclohexyl acetate 815.07
    tetrabutyl urea 731.5
    diisobutyl methanol 474.5
    2-phenylethanol 1079.41
    styrene 1275.62
    dioctyl adipate 844.11
    dimethyl sulfate 1004.8
    ethyl butyrate 975.12
    methyl lactate 598.6
    butyl lactate 771.16
    diethyl carbonate 697.43
    propanediol butyl ether 947.52
    triethyl orthoformate 626.08
    p-tert-butyltoluene 541.6
    methyl 4-tert-butylbenzoate 976.76
    morpholine 2790.86
    tert-butylamine 1351.93
    n-dodecanol 500.39
    dimethoxymethane 1942.59
    ethylene carbonate 1625.98
    cyrene 725.71
    2-ethoxyethyl acetate 1051.49
    2-ethylhexyl acetate 1000.26
    1,2,4-trichlorobenzene 2082.27
    4-methylpyridine 2842.56
    dibutyl ether 1164.95
    2,6-dimethyl-4-heptanol 474.5
    DEF 1672.27
    dimethyl isosorbide 1254.54
    tetrachloroethylene 3203.4
    eugenol 904.76
    triacetin 1034.71
    span 80 894.41
    1,4-butanediol 726.8
    1,1-dichloroethane 3481.51
    2-methyl-1-pentanol 1278.04
    methyl formate 1382.1
    2-methyl-1-butanol 1524.35
    n-decane 359.79
    butyronitrile 2158.03
    3,7-dimethyl-1-octanol 857.79
    1-chlorooctane 1014.36
    1-chlorotetradecane 424.73
    n-nonane 385.72
    undecane 271.33
    tert-butylcyclohexane 409.21
    cyclooctane 366.34
    cyclopentanol 2009.34
    tetrahydropyran 3033.39
    tert-amyl methyl ether 1070.16
    2,5,8-trioxanonane 1188.93
    1-hexene 1698.01
    2-isopropoxyethanol 842.06
    2,2,2-trifluoroethanol 479.53
    methyl butyrate 1366.36

    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