Oxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    288-42-6

    Molecular formula
    C3H3NO

    SMILES
    C1=COC=N1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Nutty 67.53%
    Sweet 59.74%
    Burnt 56.99%
    Roasted 49.0%
    Musty 44.46%
    Coffee 43.01%
    Meaty 41.77%
    Fishy 39.84%
    Ethereal 39.8%
    Pungent 36.35%

     

    Flavor
    Nutty 66.34%
    Coffee 47.7%
    Sweet 40.12%
    Roasted 35.16%
    Vegetable 34.15%
    Green 32.82%
    Cocoa 31.12%
    Peanut 30.1%
    Musty 29.31%
    Meaty 28.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    4.95 (weak acid)

    Molecular weight
    69.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    42°C

    Flash point

    • 13.3 ˚C est.

  • Synonyms

    • OXAZOLE
    • 1,3-Oxazole
    • 288-42-6
    • Oxazoles
    • FJZ20I1LPS
    • CHEBI:35597
    • DTXSID70182983
    • RefChem:389170
    • CHEBI:35790
    • DTXCID10105474
    • 206-020-8
    • 3-Azafuran
    • MFCD00009751
    • oxazol
    • EINECS 206-020-8
    • Oxazole, 98%
    • SCHEMBL14
    • UNII-FJZ20I1LPS
    • SCHEMBL2856
    • SCHEMBL9206
    • SCHEMBL9379
    • SCHEMBL215314
    • SCHEMBL451698
    • SCHEMBL454236
    • 4-Methyl-5-EthoxyoxazoleOxazol
    • orb3029464
    • SCHEMBL1158985
    • SCHEMBL1876955
    • CHEMBL2171710
    • SCHEMBL15910507
    • BBL103334
    • SBB061419
    • STL557144
    • AKOS005206966
    • FO26619
    • PB17048
    • HY-34631
    • DB-011626
    • CS-0020144
    • NS00014384
    • O0287
    • ST51047437
    • EN300-67789
    • 288O426
    • AA-511/25015522
    • F091888
    • InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3
    • Q413437
    • F0001-0902
    • 288-42-6

  • Applications

    Oxazole (CAS number: 288-42-6) is a heteroaromatic five-membered ring containing oxygen and nitrogen, used primarily as a synthetic building block and intermediate in pharmaceutical chemistry, enabling the design of oxazole-containing drug candidates. It is also commonly employed as a starting material for the preparation of agrochemical actives. In polymers and materials science, oxazole derivatives serve as functionalized building blocks for polymers and advanced materials, including optoelectronic and liquid-crystal applications. In research and development, oxazole provides a versatile scaffold for library generation and for designing heterocyclic ligands in catalysis and coordination chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1196.36
    methanol 1940.01
    isopropanol 812.19
    water 783.97
    ethyl acetate 169.56
    n-propanol 713.91
    acetone 816.5
    n-butanol 369.39
    acetonitrile 688.34
    DMF 3425.7
    toluene 45.46
    isobutanol 483.4
    1,4-dioxane 422.95
    methyl acetate 471.51
    THF 456.07
    2-butanone 468.71
    n-pentanol 238.17
    sec-butanol 475.82
    n-hexane 7.84
    ethylene glycol 1255.25
    NMP 1365.41
    cyclohexane 13.07
    DMSO 1691.8
    n-butyl acetate 65.96
    n-octanol 68.17
    chloroform 172.77
    n-propyl acetate 97.74
    acetic acid 1288.03
    dichloromethane 188.53
    cyclohexanone 203.57
    propylene glycol 1079.69
    isopropyl acetate 77.1
    DMAc 2348.46
    2-ethoxyethanol 679.76
    isopentanol 208.83
    n-heptane 12.57
    ethyl formate 136.96
    1,2-dichloroethane 135.08
    n-hexanol 126.14
    2-methoxyethanol 1254.77
    isobutyl acetate 55.1
    tetrachloromethane 44.52
    n-pentyl acetate 46.34
    transcutol 572.3
    n-heptanol 71.62
    ethylbenzene 16.06
    MIBK 75.97
    2-propoxyethanol 345.95
    tert-butanol 610.9
    MTBE 219.3
    2-butoxyethanol 186.22
    propionic acid 643.82
    o-xylene 46.63
    formic acid 1385.51
    diethyl ether 186.93
    m-xylene 34.23
    p-xylene 28.59
    chlorobenzene 47.73
    dimethyl carbonate 214.72
    n-octane 3.59
    formamide 1432.48
    cyclopentanone 356.92
    2-pentanone 188.15
    anisole 94.81
    cyclopentyl methyl ether 174.25
    gamma-butyrolactone 373.99
    1-methoxy-2-propanol 726.79
    pyridine 344.59
    3-pentanone 200.14
    furfural 340.62
    n-dodecane 3.4
    diethylene glycol 478.3
    diisopropyl ether 33.38
    tert-amyl alcohol 409.5
    acetylacetone 157.84
    n-hexadecane 3.61
    acetophenone 102.18
    methyl propionate 303.52
    isopentyl acetate 47.52
    trichloroethylene 229.61
    n-nonanol 58.44
    cyclohexanol 202.91
    benzyl alcohol 146.39
    2-ethylhexanol 55.07
    isooctanol 49.88
    dipropyl ether 78.71
    1,2-dichlorobenzene 40.53
    ethyl lactate 99.88
    propylene carbonate 126.91
    n-methylformamide 1427.64
    2-pentanol 191.04
    n-pentane 16.65
    1-propoxy-2-propanol 222.96
    1-methoxy-2-propyl acetate 103.73
    2-(2-methoxypropoxy) propanol 153.92
    mesitylene 18.87
    ε-caprolactone 162.64
    p-cymene 20.12
    epichlorohydrin 347.74
    1,1,1-trichloroethane 117.37
    2-aminoethanol 1464.05
    morpholine-4-carbaldehyde 957.48
    sulfolane 421.81
    2,2,4-trimethylpentane 9.56
    2-methyltetrahydrofuran 284.35
    n-hexyl acetate 64.07
    isooctane 4.71
    2-(2-butoxyethoxy)ethanol 191.13
    sec-butyl acetate 51.4
    tert-butyl acetate 66.3
    decalin 5.5
    glycerin 1202.98
    diglyme 366.65
    acrylic acid 780.2
    isopropyl myristate 23.41
    n-butyric acid 273.09
    acetyl acetate 87.58
    di(2-ethylhexyl) phthalate 38.41
    ethyl propionate 85.85
    nitromethane 1402.28
    1,2-diethoxyethane 106.51
    benzonitrile 96.53
    trioctyl phosphate 25.49
    1-bromopropane 74.59
    gamma-valerolactone 458.29
    n-decanol 42.42
    triethyl phosphate 34.36
    4-methyl-2-pentanol 73.26
    propionitrile 356.24
    vinylene carbonate 128.25
    1,1,2-trichlorotrifluoroethane 543.19
    DMS 84.77
    cumene 15.53
    2-octanol 38.03
    2-hexanone 102.43
    octyl acetate 41.77
    limonene 34.82
    1,2-dimethoxyethane 468.8
    ethyl orthosilicate 33.72
    tributyl phosphate 26.81
    diacetone alcohol 173.36
    N,N-dimethylaniline 104.27
    acrylonitrile 502.69
    aniline 206.62
    1,3-propanediol 791.44
    bromobenzene 30.49
    dibromomethane 97.17
    1,1,2,2-tetrachloroethane 187.6
    2-methyl-cyclohexyl acetate 43.96
    tetrabutyl urea 54.04
    diisobutyl methanol 28.48
    2-phenylethanol 90.0
    styrene 25.33
    dioctyl adipate 43.89
    dimethyl sulfate 315.78
    ethyl butyrate 56.3
    methyl lactate 280.09
    butyl lactate 64.25
    diethyl carbonate 40.27
    propanediol butyl ether 197.96
    triethyl orthoformate 46.49
    p-tert-butyltoluene 20.05
    methyl 4-tert-butylbenzoate 83.52
    morpholine 710.07
    tert-butylamine 312.53
    n-dodecanol 32.16
    dimethoxymethane 663.75
    ethylene carbonate 97.62
    cyrene 177.1
    2-ethoxyethyl acetate 88.79
    2-ethylhexyl acetate 36.72
    1,2,4-trichlorobenzene 73.77
    4-methylpyridine 231.28
    dibutyl ether 33.98
    2,6-dimethyl-4-heptanol 28.48
    DEF 428.16
    dimethyl isosorbide 139.29
    tetrachloroethylene 139.11
    eugenol 106.18
    triacetin 102.1
    span 80 133.51
    1,4-butanediol 451.02
    1,1-dichloroethane 156.53
    2-methyl-1-pentanol 133.78
    methyl formate 661.56
    2-methyl-1-butanol 270.16
    n-decane 5.08
    butyronitrile 194.48
    3,7-dimethyl-1-octanol 47.91
    1-chlorooctane 18.5
    1-chlorotetradecane 8.42
    n-nonane 4.74
    undecane 3.97
    tert-butylcyclohexane 5.76
    cyclooctane 4.07
    cyclopentanol 363.83
    tetrahydropyran 239.89
    tert-amyl methyl ether 163.71
    2,5,8-trioxanonane 251.49
    1-hexene 29.39
    2-isopropoxyethanol 347.96
    2,2,2-trifluoroethanol 620.86
    methyl butyrate 109.85

    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