2-Ethyl-1,3-oxazole

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  • Identifiers

    CAS number
    54300-19-5

    Molecular formula
    C5H7NO

    SMILES
    CCC1=NC=CO1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.31%
    Nutty 59.47%
    Vegetable 56.44%
    Earthy 43.72%
    Roasted 42.95%
    Musty 40.22%
    Burnt 37.36%
    Cocoa 37.04%
    Meaty 35.1%
    Sweet 32.87%

     

    Flavor
    Green 67.41%
    Nutty 64.29%
    Vegetable 43.3%
    Earthy 40.73%
    Sweet 39.24%
    Roasted 34.83%
    Coffee 33.28%
    Burnt 26.47%
    Peanut 25.81%
    Caramel 25.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.68 (weak acid)

    Molecular weight
    97.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    94°C

    Flash point

    • 30.82 ˚C est.

  • Synonyms

    • 2-ethyl-1,3-oxazole
    • 54300-19-5
    • RefChem:471710
    • 880-551-9
    • Oxazole, 2-ethyl-
    • 2-ethyloxazole
    • 2-Athyloxazol
    • SCHEMBL289070
    • SCHEMBL289071
    • SCHEMBL500208
    • SCHEMBL735083
    • SCHEMBL2048948
    • AT39327
    • EN300-121405
    • 54300-19-5

  • Applications

    2-Ethyl-1,3-oxazole (CAS 54300-19-5) is primarily used as a versatile heterocyclic building block in organic synthesis. In pharmaceutical development, it serves as an intermediate for oxazole-containing compounds and drug candidates. In the agrochemical sector, it is used as a precursor to oxazole derivatives for potential agrochemical agents. In materials science, it is employed as a building block for more complex oxazole derivatives used in specialty polymers and coatings. It is also encountered in library generation and medicinal chemistry research, where this heterocycle supports exploration of chemical space.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 642.34
    methanol 1284.6
    isopropanol 356.86
    water 36.22
    ethyl acetate 359.65
    n-propanol 427.65
    acetone 539.84
    n-butanol 416.71
    acetonitrile 594.92
    DMF 884.87
    toluene 258.21
    isobutanol 371.37
    1,4-dioxane 576.85
    methyl acetate 400.02
    THF 825.64
    2-butanone 450.68
    n-pentanol 360.18
    sec-butanol 349.49
    n-hexane 91.2
    ethylene glycol 190.28
    NMP 961.89
    cyclohexane 95.88
    DMSO 1016.11
    n-butyl acetate 278.35
    n-octanol 137.55
    chloroform 1316.82
    n-propyl acetate 241.63
    acetic acid 801.47
    dichloromethane 1714.83
    cyclohexanone 551.58
    propylene glycol 146.3
    isopropyl acetate 210.37
    DMAc 759.1
    2-ethoxyethanol 506.65
    isopentanol 381.11
    n-heptane 54.35
    ethyl formate 349.24
    1,2-dichloroethane 799.41
    n-hexanol 227.94
    2-methoxyethanol 732.15
    isobutyl acetate 157.95
    tetrachloromethane 298.25
    n-pentyl acetate 207.14
    transcutol 1060.13
    n-heptanol 128.93
    ethylbenzene 141.46
    MIBK 228.76
    2-propoxyethanol 415.01
    tert-butanol 401.19
    MTBE 398.24
    2-butoxyethanol 256.75
    propionic acid 388.02
    o-xylene 173.54
    formic acid 574.0
    diethyl ether 384.3
    m-xylene 163.01
    p-xylene 209.12
    chlorobenzene 447.75
    dimethyl carbonate 179.01
    n-octane 25.85
    formamide 610.84
    cyclopentanone 695.51
    2-pentanone 341.79
    anisole 319.53
    cyclopentyl methyl ether 380.52
    gamma-butyrolactone 766.26
    1-methoxy-2-propanol 419.59
    pyridine 693.93
    3-pentanone 294.72
    furfural 874.69
    n-dodecane 22.16
    diethylene glycol 331.7
    diisopropyl ether 123.03
    tert-amyl alcohol 399.93
    acetylacetone 359.72
    n-hexadecane 24.21
    acetophenone 280.5
    methyl propionate 296.05
    isopentyl acetate 244.56
    trichloroethylene 1276.38
    n-nonanol 119.54
    cyclohexanol 323.72
    benzyl alcohol 296.74
    2-ethylhexanol 152.35
    isooctanol 119.78
    dipropyl ether 180.91
    1,2-dichlorobenzene 411.66
    ethyl lactate 123.06
    propylene carbonate 370.58
    n-methylformamide 572.26
    2-pentanol 254.52
    n-pentane 83.02
    1-propoxy-2-propanol 246.78
    1-methoxy-2-propyl acetate 228.76
    2-(2-methoxypropoxy) propanol 267.36
    mesitylene 111.07
    ε-caprolactone 438.33
    p-cymene 99.89
    epichlorohydrin 867.32
    1,1,1-trichloroethane 599.54
    2-aminoethanol 327.38
    morpholine-4-carbaldehyde 744.13
    sulfolane 939.89
    2,2,4-trimethylpentane 61.38
    2-methyltetrahydrofuran 663.94
    n-hexyl acetate 254.16
    isooctane 37.08
    2-(2-butoxyethoxy)ethanol 335.96
    sec-butyl acetate 163.08
    tert-butyl acetate 226.29
    decalin 58.6
    glycerin 221.74
    diglyme 604.23
    acrylic acid 406.87
    isopropyl myristate 108.24
    n-butyric acid 459.81
    acetyl acetate 246.1
    di(2-ethylhexyl) phthalate 144.47
    ethyl propionate 212.68
    nitromethane 970.53
    1,2-diethoxyethane 391.35
    benzonitrile 479.03
    trioctyl phosphate 88.03
    1-bromopropane 506.55
    gamma-valerolactone 800.9
    n-decanol 90.82
    triethyl phosphate 118.07
    4-methyl-2-pentanol 155.29
    propionitrile 460.72
    vinylene carbonate 386.62
    1,1,2-trichlorotrifluoroethane 550.66
    DMS 228.84
    cumene 111.23
    2-octanol 100.11
    2-hexanone 278.06
    octyl acetate 137.64
    limonene 144.33
    1,2-dimethoxyethane 737.77
    ethyl orthosilicate 117.39
    tributyl phosphate 128.01
    diacetone alcohol 243.44
    N,N-dimethylaniline 240.48
    acrylonitrile 573.08
    aniline 374.66
    1,3-propanediol 413.17
    bromobenzene 462.49
    dibromomethane 1037.76
    1,1,2,2-tetrachloroethane 828.99
    2-methyl-cyclohexyl acetate 175.26
    tetrabutyl urea 170.69
    diisobutyl methanol 100.63
    2-phenylethanol 231.02
    styrene 202.23
    dioctyl adipate 162.55
    dimethyl sulfate 297.05
    ethyl butyrate 209.3
    methyl lactate 155.46
    butyl lactate 149.27
    diethyl carbonate 154.78
    propanediol butyl ether 219.97
    triethyl orthoformate 148.41
    p-tert-butyltoluene 90.01
    methyl 4-tert-butylbenzoate 236.1
    morpholine 625.41
    tert-butylamine 306.87
    n-dodecanol 73.37
    dimethoxymethane 515.08
    ethylene carbonate 297.15
    cyrene 267.17
    2-ethoxyethyl acetate 288.98
    2-ethylhexyl acetate 195.93
    1,2,4-trichlorobenzene 448.83
    4-methylpyridine 693.27
    dibutyl ether 190.39
    2,6-dimethyl-4-heptanol 100.63
    DEF 466.45
    dimethyl isosorbide 422.66
    tetrachloroethylene 633.79
    eugenol 250.49
    triacetin 242.56
    span 80 211.21
    1,4-butanediol 232.32
    1,1-dichloroethane 708.73
    2-methyl-1-pentanol 343.14
    methyl formate 446.44
    2-methyl-1-butanol 391.57
    n-decane 31.19
    butyronitrile 497.69
    3,7-dimethyl-1-octanol 152.9
    1-chlorooctane 102.25
    1-chlorotetradecane 50.9
    n-nonane 31.96
    undecane 25.4
    tert-butylcyclohexane 59.37
    cyclooctane 36.71
    cyclopentanol 404.24
    tetrahydropyran 484.63
    tert-amyl methyl ether 325.85
    2,5,8-trioxanonane 437.76
    1-hexene 212.22
    2-isopropoxyethanol 315.46
    2,2,2-trifluoroethanol 278.74
    methyl butyrate 305.16

    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