4-Ethyl-2-methyloxazole

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  • Identifiers

    CAS number
    53833-20-8

    Molecular formula
    C6H9NO

    SMILES
    CCC1=COC(=N1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 83.91%
    Nutty 66.66%
    Roasted 63.15%
    Vegetable 61.61%
    Meaty 52.48%
    Earthy 50.45%
    Burnt 44.87%
    Cocoa 43.93%
    Musty 42.84%
    Coffee 37.04%

     

    Flavor
    Roasted 55.83%
    Nutty 50.5%
    Burnt 39.87%
    Coffee 39.36%
    Vegetable 38.94%
    Green 36.63%
    Earthy 36.58%
    Potato 30.41%
    Meaty 29.86%
    Roast 29.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.98 (weak acid)

    Molecular weight
    111.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    111°C

    Flash point

    • 36.69 ˚C est.

  • Synonyms

    • 4-Ethyl-2-methyloxazole
    • 4-ethyl-2-methyl-1,3-oxazole
    • 2-methyl-4-ethyloxazole
    • 53833-20-8
    • Oxazole, 2-methyl-4-ethyl
    • SCHEMBL680079
    • SCHEMBL5541387
    • SCHEMBL5545306
    • SCHEMBL19813807
    • CHEBI:179315
    • FLRAVPRRUDBVKJ-UHFFFAOYSA-N
    • DTXSID401318868
    • 53833-20-8

  • Applications

    4-Ethyl-2-methyloxazole (CAS 53833-20-8) is primarily used as an organic intermediate in the synthesis of more complex heterocycles and is commonly encountered in pharmaceutical and agrochemical development as a building block for medicinal chemistry scaffolds and crop-protection candidates. It may also serve as a precursor in general chemical manufacturing and is sometimes explored for incorporation into functional materials, including specialty polymers and coatings, where the oxazole ring contributes to rigidity and electronic characteristics. In research and development, it is used for structure–activity exploration and as a scaffold for developing new heterocyclic compounds, with usage limited by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 725.47
    methanol 1347.53
    isopropanol 531.98
    water 33.57
    ethyl acetate 327.57
    n-propanol 582.08
    acetone 548.11
    n-butanol 508.0
    acetonitrile 500.99
    DMF 1108.37
    toluene 234.1
    isobutanol 484.07
    1,4-dioxane 611.2
    methyl acetate 361.16
    THF 824.14
    2-butanone 439.33
    n-pentanol 365.48
    sec-butanol 509.91
    n-hexane 97.56
    ethylene glycol 340.35
    NMP 1009.27
    cyclohexane 81.17
    DMSO 1010.47
    n-butyl acetate 190.93
    n-octanol 216.71
    chloroform 1194.15
    n-propyl acetate 177.97
    acetic acid 608.0
    dichloromethane 1277.07
    cyclohexanone 578.1
    propylene glycol 363.18
    isopropyl acetate 217.51
    DMAc 883.93
    2-ethoxyethanol 484.49
    isopentanol 384.07
    n-heptane 45.59
    ethyl formate 287.65
    1,2-dichloroethane 619.37
    n-hexanol 287.25
    2-methoxyethanol 853.81
    isobutyl acetate 139.5
    tetrachloromethane 253.67
    n-pentyl acetate 203.65
    transcutol 749.78
    n-heptanol 172.39
    ethylbenzene 147.64
    MIBK 232.53
    2-propoxyethanol 452.34
    tert-butanol 501.87
    MTBE 413.15
    2-butoxyethanol 283.29
    propionic acid 432.87
    o-xylene 190.89
    formic acid 353.65
    diethyl ether 363.84
    m-xylene 181.96
    p-xylene 203.08
    chlorobenzene 389.68
    dimethyl carbonate 195.72
    n-octane 29.06
    formamide 350.55
    cyclopentanone 713.43
    2-pentanone 367.0
    anisole 302.51
    cyclopentyl methyl ether 405.68
    gamma-butyrolactone 749.89
    1-methoxy-2-propanol 631.36
    pyridine 512.08
    3-pentanone 302.05
    furfural 740.4
    n-dodecane 30.15
    diethylene glycol 390.01
    diisopropyl ether 127.75
    tert-amyl alcohol 489.63
    acetylacetone 426.38
    n-hexadecane 32.85
    acetophenone 264.92
    methyl propionate 325.82
    isopentyl acetate 191.2
    trichloroethylene 989.64
    n-nonanol 178.4
    cyclohexanol 367.54
    benzyl alcohol 283.81
    2-ethylhexanol 171.06
    isooctanol 148.25
    dipropyl ether 158.4
    1,2-dichlorobenzene 374.03
    ethyl lactate 152.26
    propylene carbonate 398.43
    n-methylformamide 557.82
    2-pentanol 323.75
    n-pentane 88.27
    1-propoxy-2-propanol 278.09
    1-methoxy-2-propyl acetate 214.72
    2-(2-methoxypropoxy) propanol 255.08
    mesitylene 124.87
    ε-caprolactone 484.5
    p-cymene 97.17
    epichlorohydrin 781.28
    1,1,1-trichloroethane 562.61
    2-aminoethanol 510.22
    morpholine-4-carbaldehyde 764.93
    sulfolane 1019.86
    2,2,4-trimethylpentane 66.14
    2-methyltetrahydrofuran 589.54
    n-hexyl acetate 315.58
    isooctane 43.61
    2-(2-butoxyethoxy)ethanol 319.69
    sec-butyl acetate 135.03
    tert-butyl acetate 234.18
    decalin 66.39
    glycerin 468.94
    diglyme 512.48
    acrylic acid 429.94
    isopropyl myristate 125.77
    n-butyric acid 450.8
    acetyl acetate 236.76
    di(2-ethylhexyl) phthalate 142.18
    ethyl propionate 190.68
    nitromethane 735.7
    1,2-diethoxyethane 233.32
    benzonitrile 387.52
    trioctyl phosphate 101.58
    1-bromopropane 423.58
    gamma-valerolactone 773.24
    n-decanol 133.55
    triethyl phosphate 106.47
    4-methyl-2-pentanol 182.39
    propionitrile 436.28
    vinylene carbonate 396.18
    1,1,2-trichlorotrifluoroethane 567.37
    DMS 227.86
    cumene 128.06
    2-octanol 147.04
    2-hexanone 230.04
    octyl acetate 163.63
    limonene 136.59
    1,2-dimethoxyethane 610.01
    ethyl orthosilicate 103.2
    tributyl phosphate 118.86
    diacetone alcohol 290.3
    N,N-dimethylaniline 243.58
    acrylonitrile 552.48
    aniline 313.23
    1,3-propanediol 518.16
    bromobenzene 404.89
    dibromomethane 780.67
    1,1,2,2-tetrachloroethane 820.55
    2-methyl-cyclohexyl acetate 154.19
    tetrabutyl urea 157.24
    diisobutyl methanol 98.69
    2-phenylethanol 229.74
    styrene 178.2
    dioctyl adipate 161.98
    dimethyl sulfate 378.3
    ethyl butyrate 155.2
    methyl lactate 250.12
    butyl lactate 169.36
    diethyl carbonate 121.23
    propanediol butyl ether 292.43
    triethyl orthoformate 120.79
    p-tert-butyltoluene 97.45
    methyl 4-tert-butylbenzoate 251.14
    morpholine 643.89
    tert-butylamine 359.36
    n-dodecanol 103.25
    dimethoxymethane 539.76
    ethylene carbonate 299.11
    cyrene 263.61
    2-ethoxyethyl acetate 235.04
    2-ethylhexyl acetate 153.96
    1,2,4-trichlorobenzene 439.99
    4-methylpyridine 547.51
    dibutyl ether 190.24
    2,6-dimethyl-4-heptanol 98.69
    DEF 483.32
    dimethyl isosorbide 376.25
    tetrachloroethylene 567.68
    eugenol 259.45
    triacetin 246.44
    span 80 237.22
    1,4-butanediol 287.17
    1,1-dichloroethane 621.1
    2-methyl-1-pentanol 327.88
    methyl formate 412.58
    2-methyl-1-butanol 442.15
    n-decane 42.68
    butyronitrile 427.82
    3,7-dimethyl-1-octanol 189.62
    1-chlorooctane 146.47
    1-chlorotetradecane 70.18
    n-nonane 43.33
    undecane 34.56
    tert-butylcyclohexane 74.69
    cyclooctane 34.24
    cyclopentanol 480.64
    tetrahydropyran 497.36
    tert-amyl methyl ether 336.63
    2,5,8-trioxanonane 376.13
    1-hexene 222.89
    2-isopropoxyethanol 296.22
    2,2,2-trifluoroethanol 232.84
    methyl butyrate 260.54

    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