2-Ethyl-5-methyloxazole

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  • Identifiers

    CAS number
    42463-54-7

    Molecular formula
    C6H9NO

    SMILES
    CCC1=NC=C(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 83.54%
    Nutty 63.74%
    Roasted 59.54%
    Vegetable 53.24%
    Earthy 49.67%
    Meaty 42.01%
    Musty 40.88%
    Burnt 39.02%
    Cocoa 37.72%
    Hazelnut 34.8%

     

    Flavor
    Green 57.57%
    Nutty 52.7%
    Roasted 49.7%
    Vegetable 45.34%
    Earthy 43.88%
    Burnt 36.57%
    Coffee 35.06%
    Potato 30.63%
    Meaty 26.78%
    Raw 26.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.06 (neutral)

    Molecular weight
    111.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    141°C

    Flash point

    • 33.6 ˚C est.

  • Synonyms

    • 2-Ethyl-5-methyloxazole
    • 2-ethyl-5-methyl-1,3-oxazole
    • Oxazole, 2-ethyl-5-methyl-
    • 42463-54-7
    • Oxazole, 2-ethyl-5-methyl
    • F46MZ42FD8
    • UNII-F46MZ42FD8
    • SCHEMBL26272
    • SCHEMBL26273
    • SCHEMBL7880120
    • ADIDFXCLFPHHLE-UHFFFAOYSA-N
    • CHEBI:179313
    • DTXSID701313798
    • 42463-54-7

  • Applications

    2-Ethyl-5-methyloxazole (CAS 42463-54-7) is primarily used as an intermediate and building block in the synthesis of oxazole-containing compounds for pharmaceutical and agricultural chemical applications, providing access to heterocyclic scaffolds for medicinal chemistry and agrochemical development. It is also used as a starting material in organic synthesis research and development, particularly for constructing diverse heterocyclic structures and for specialized materials applications. In some cases, it has been evaluated for fragrance and flavor research as a potential precursor for aroma-related studies, depending on formulation goals and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 859.81
    methanol 1649.37
    isopropanol 608.71
    water 35.36
    ethyl acetate 484.68
    n-propanol 684.0
    acetone 713.54
    n-butanol 646.3
    acetonitrile 583.39
    DMF 1388.26
    toluene 348.58
    isobutanol 611.2
    1,4-dioxane 840.49
    methyl acetate 552.47
    THF 1020.43
    2-butanone 656.21
    n-pentanol 549.53
    sec-butanol 658.11
    n-hexane 179.35
    ethylene glycol 431.09
    NMP 1299.99
    cyclohexane 132.44
    DMSO 1236.45
    n-butyl acetate 347.94
    n-octanol 346.3
    chloroform 1631.46
    n-propyl acetate 333.08
    acetic acid 636.05
    dichloromethane 1845.87
    cyclohexanone 748.37
    propylene glycol 442.91
    isopropyl acetate 336.35
    DMAc 1282.25
    2-ethoxyethanol 823.84
    isopentanol 564.88
    n-heptane 88.94
    ethyl formate 437.16
    1,2-dichloroethane 923.61
    n-hexanol 455.67
    2-methoxyethanol 1180.92
    isobutyl acetate 251.09
    tetrachloromethane 393.71
    n-pentyl acetate 338.79
    transcutol 1246.13
    n-heptanol 276.71
    ethylbenzene 248.01
    MIBK 375.85
    2-propoxyethanol 788.11
    tert-butanol 668.43
    MTBE 677.11
    2-butoxyethanol 488.29
    propionic acid 525.28
    o-xylene 295.38
    formic acid 441.66
    diethyl ether 563.73
    m-xylene 279.62
    p-xylene 343.53
    chlorobenzene 543.58
    dimethyl carbonate 295.35
    n-octane 53.86
    formamide 413.13
    cyclopentanone 916.9
    2-pentanone 521.26
    anisole 498.82
    cyclopentyl methyl ether 579.08
    gamma-butyrolactone 949.83
    1-methoxy-2-propanol 864.86
    pyridine 633.92
    3-pentanone 460.74
    furfural 1026.11
    n-dodecane 51.91
    diethylene glycol 633.97
    diisopropyl ether 221.92
    tert-amyl alcohol 694.73
    acetylacetone 575.19
    n-hexadecane 56.49
    acetophenone 432.38
    methyl propionate 488.99
    isopentyl acetate 336.84
    trichloroethylene 1410.62
    n-nonanol 276.59
    cyclohexanol 496.67
    benzyl alcohol 447.23
    2-ethylhexanol 289.74
    isooctanol 241.87
    dipropyl ether 296.17
    1,2-dichlorobenzene 561.69
    ethyl lactate 243.8
    propylene carbonate 526.18
    n-methylformamide 696.04
    2-pentanol 447.72
    n-pentane 149.91
    1-propoxy-2-propanol 475.09
    1-methoxy-2-propyl acetate 368.82
    2-(2-methoxypropoxy) propanol 408.66
    mesitylene 197.41
    ε-caprolactone 666.66
    p-cymene 162.51
    epichlorohydrin 1064.05
    1,1,1-trichloroethane 813.35
    2-aminoethanol 598.97
    morpholine-4-carbaldehyde 1110.23
    sulfolane 1252.44
    2,2,4-trimethylpentane 115.61
    2-methyltetrahydrofuran 832.26
    n-hexyl acetate 513.35
    isooctane 78.37
    2-(2-butoxyethoxy)ethanol 525.21
    sec-butyl acetate 252.99
    tert-butyl acetate 386.45
    decalin 117.39
    glycerin 600.69
    diglyme 874.05
    acrylic acid 515.31
    isopropyl myristate 196.72
    n-butyric acid 589.4
    acetyl acetate 354.5
    di(2-ethylhexyl) phthalate 231.14
    ethyl propionate 344.74
    nitromethane 872.35
    1,2-diethoxyethane 454.85
    benzonitrile 552.01
    trioctyl phosphate 161.15
    1-bromopropane 649.15
    gamma-valerolactone 1078.29
    n-decanol 202.37
    triethyl phosphate 173.04
    4-methyl-2-pentanol 280.77
    propionitrile 538.0
    vinylene carbonate 562.79
    1,1,2-trichlorotrifluoroethane 858.17
    DMS 383.08
    cumene 216.35
    2-octanol 239.2
    2-hexanone 401.79
    octyl acetate 257.22
    limonene 226.66
    1,2-dimethoxyethane 1063.58
    ethyl orthosilicate 173.7
    tributyl phosphate 204.16
    diacetone alcohol 429.78
    N,N-dimethylaniline 422.33
    acrylonitrile 659.32
    aniline 435.75
    1,3-propanediol 634.36
    bromobenzene 575.05
    dibromomethane 1188.08
    1,1,2,2-tetrachloroethane 1195.51
    2-methyl-cyclohexyl acetate 261.55
    tetrabutyl urea 262.98
    diisobutyl methanol 166.75
    2-phenylethanol 381.59
    styrene 302.55
    dioctyl adipate 263.3
    dimethyl sulfate 526.71
    ethyl butyrate 284.44
    methyl lactate 341.35
    butyl lactate 278.47
    diethyl carbonate 208.65
    propanediol butyl ether 490.77
    triethyl orthoformate 212.52
    p-tert-butyltoluene 167.21
    methyl 4-tert-butylbenzoate 411.56
    morpholine 832.76
    tert-butylamine 505.25
    n-dodecanol 157.11
    dimethoxymethane 836.99
    ethylene carbonate 432.5
    cyrene 408.76
    2-ethoxyethyl acetate 400.73
    2-ethylhexyl acetate 282.51
    1,2,4-trichlorobenzene 637.77
    4-methylpyridine 753.22
    dibutyl ether 335.8
    2,6-dimethyl-4-heptanol 166.75
    DEF 738.72
    dimethyl isosorbide 559.96
    tetrachloroethylene 835.99
    eugenol 426.56
    triacetin 399.26
    span 80 348.63
    1,4-butanediol 403.1
    1,1-dichloroethane 867.14
    2-methyl-1-pentanol 520.32
    methyl formate 565.82
    2-methyl-1-butanol 633.47
    n-decane 75.84
    butyronitrile 589.21
    3,7-dimethyl-1-octanol 309.28
    1-chlorooctane 247.37
    1-chlorotetradecane 112.21
    n-nonane 78.09
    undecane 60.87
    tert-butylcyclohexane 133.75
    cyclooctane 63.35
    cyclopentanol 568.23
    tetrahydropyran 664.18
    tert-amyl methyl ether 588.98
    2,5,8-trioxanonane 589.73
    1-hexene 363.48
    2-isopropoxyethanol 522.53
    2,2,2-trifluoroethanol 296.16
    methyl butyrate 461.78

    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