4-Ethyl-2,5-dimethyloxazole

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  • Identifiers

    CAS number
    30408-61-8

    Molecular formula
    C7H11NO

    SMILES
    CCC1=C(OC(=N1)C)C

  • Odor profile

    Fragrance
    Green 79.57%
    Nutty 70.27%
    Roasted 69.4%
    Vegetable 62.0%
    Earthy 61.68%
    Burnt 50.63%
    Musty 49.29%
    Meaty 49.24%
    Cocoa 42.61%
    Hazelnut 42.4%

     

    Flavor
    Roasted 66.61%
    Nutty 56.9%
    Burnt 53.3%
    Earthy 48.22%
    Vegetable 44.77%
    Coffee 41.88%
    Meaty 41.25%
    Roast 39.22%
    Potato 38.26%
    Musty 35.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.44 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 150.00 °C. @ 760.00 mm Hg

    Flash point

    • 40.27 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • REAXYS 507364
    • FEMA 4395
    • 4-Ethyl-2,5-dimethyloxazole
    • 2,5-Dimethyl-4-ethyloxazole
    • 30408-61-8
    • 4-Ethyl-2,5-dimethyl-1,3-oxazole
    • Oxazole, 4-ethyl-2,5-dimethyl-
    • U945161N18
    • EINECS 250-181-7
    • 2,5-dimethyl-4-ethyl oxazole
    • UNII-U945161N18
    • SCHEMBL3504904
    • FEMA NO. 4395
    • DTXSID60184491
    • CHEBI:193627
    • 4-Ethyl-2,5-dimethyl-1,3-oxazole #
    • 2,5-DIMETHYL-4-ETHYLOXAZOLE [FHFI]
    • NS00050341
    • Q27290943

  • Applications

    4-Ethyl-2,5-dimethyloxazole (CAS 30408-61-8) is primarily used as a synthetic building block for heteroaromatic compounds. It serves as an intermediate in the preparation of oxazole-containing scaffolds for pharmaceutical and agrochemical candidates. It is often evaluated for incorporation into specialty polymers and coatings as a functional heteroaromatic unit. In fragrance and flavor chemistry, it may act as a precursor to oxazole-based aroma compounds or be studied as part of scent molecule research. It also appears in academic and process chemistry as a reagent or starting material for heteroaromatic chemistry. Its use is largely as an intermediate and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1646.08
    methanol 2805.84
    isopropanol 1171.55
    water 66.78
    ethyl acetate 888.62
    n-propanol 1477.91
    acetone 1094.84
    n-butanol 1297.14
    acetonitrile 1136.76
    DMF 2054.04
    toluene 761.62
    isobutanol 1194.96
    1,4-dioxane 1737.25
    methyl acetate 854.88
    THF 2252.9
    2-butanone 1033.23
    n-pentanol 923.11
    sec-butanol 1239.19
    n-hexane 451.71
    ethylene glycol 716.57
    NMP 2087.71
    cyclohexane 420.73
    DMSO 1858.68
    n-butyl acetate 518.23
    n-octanol 534.51
    chloroform 3397.84
    n-propyl acetate 470.49
    acetic acid 1051.05
    dichloromethane 3850.52
    cyclohexanone 1425.9
    propylene glycol 695.3
    isopropyl acetate 557.47
    DMAc 1639.06
    2-ethoxyethanol 1244.12
    isopentanol 980.38
    n-heptane 179.52
    ethyl formate 689.88
    1,2-dichloroethane 1877.85
    n-hexanol 780.64
    2-methoxyethanol 2090.81
    isobutyl acetate 360.44
    tetrachloromethane 876.83
    n-pentyl acetate 518.03
    transcutol 1618.09
    n-heptanol 429.58
    ethylbenzene 444.67
    MIBK 602.78
    2-propoxyethanol 1241.6
    tert-butanol 1137.06
    MTBE 1171.65
    2-butoxyethanol 687.51
    propionic acid 861.41
    o-xylene 528.97
    formic acid 701.92
    diethyl ether 1282.78
    m-xylene 535.07
    p-xylene 580.67
    chlorobenzene 1003.94
    dimethyl carbonate 487.0
    n-octane 98.35
    formamide 744.87
    cyclopentanone 1652.79
    2-pentanone 904.12
    anisole 805.49
    cyclopentyl methyl ether 1341.3
    gamma-butyrolactone 1694.81
    1-methoxy-2-propanol 1439.97
    pyridine 1212.38
    3-pentanone 838.6
    furfural 1551.48
    n-dodecane 80.75
    diethylene glycol 935.78
    diisopropyl ether 438.02
    tert-amyl alcohol 1147.67
    acetylacetone 871.67
    n-hexadecane 88.57
    acetophenone 595.4
    methyl propionate 851.93
    isopentyl acetate 502.98
    trichloroethylene 2579.6
    n-nonanol 444.23
    cyclohexanol 1085.33
    benzyl alcohol 660.28
    2-ethylhexanol 470.94
    isooctanol 365.68
    dipropyl ether 517.08
    1,2-dichlorobenzene 960.9
    ethyl lactate 321.45
    propylene carbonate 876.5
    n-methylformamide 1166.8
    2-pentanol 833.97
    n-pentane 372.46
    1-propoxy-2-propanol 713.03
    1-methoxy-2-propyl acetate 527.58
    2-(2-methoxypropoxy) propanol 500.42
    mesitylene 367.55
    ε-caprolactone 1226.5
    p-cymene 253.84
    epichlorohydrin 2124.06
    1,1,1-trichloroethane 1550.42
    2-aminoethanol 1101.95
    morpholine-4-carbaldehyde 1730.0
    sulfolane 2015.55
    2,2,4-trimethylpentane 226.08
    2-methyltetrahydrofuran 1847.18
    n-hexyl acetate 795.2
    isooctane 141.56
    2-(2-butoxyethoxy)ethanol 700.21
    sec-butyl acetate 362.3
    tert-butyl acetate 622.49
    decalin 240.29
    glycerin 892.58
    diglyme 1215.07
    acrylic acid 801.57
    isopropyl myristate 284.02
    n-butyric acid 1043.56
    acetyl acetate 537.66
    di(2-ethylhexyl) phthalate 299.86
    ethyl propionate 551.56
    nitromethane 1413.37
    1,2-diethoxyethane 641.47
    benzonitrile 839.16
    trioctyl phosphate 219.83
    1-bromopropane 1392.12
    gamma-valerolactone 1823.41
    n-decanol 311.58
    triethyl phosphate 245.39
    4-methyl-2-pentanol 466.69
    propionitrile 1016.66
    vinylene carbonate 875.03
    1,1,2-trichlorotrifluoroethane 1256.31
    DMS 559.92
    cumene 352.09
    2-octanol 370.42
    2-hexanone 574.94
    octyl acetate 368.89
    limonene 384.99
    1,2-dimethoxyethane 1576.12
    ethyl orthosilicate 255.96
    tributyl phosphate 265.09
    diacetone alcohol 651.69
    N,N-dimethylaniline 618.78
    acrylonitrile 1164.38
    aniline 832.57
    1,3-propanediol 1202.1
    bromobenzene 1064.41
    dibromomethane 2587.24
    1,1,2,2-tetrachloroethane 2126.35
    2-methyl-cyclohexyl acetate 386.21
    tetrabutyl urea 351.55
    diisobutyl methanol 250.82
    2-phenylethanol 578.25
    styrene 516.52
    dioctyl adipate 356.09
    dimethyl sulfate 776.71
    ethyl butyrate 407.3
    methyl lactate 513.73
    butyl lactate 369.41
    diethyl carbonate 300.36
    propanediol butyl ether 606.03
    triethyl orthoformate 311.17
    p-tert-butyltoluene 263.12
    methyl 4-tert-butylbenzoate 578.79
    morpholine 1801.61
    tert-butylamine 917.39
    n-dodecanol 228.82
    dimethoxymethane 1491.34
    ethylene carbonate 749.3
    cyrene 521.4
    2-ethoxyethyl acetate 608.87
    2-ethylhexyl acetate 435.47
    1,2,4-trichlorobenzene 1080.79
    4-methylpyridine 1381.42
    dibutyl ether 531.14
    2,6-dimethyl-4-heptanol 250.82
    DEF 1126.96
    dimethyl isosorbide 774.97
    tetrachloroethylene 1637.96
    eugenol 550.57
    triacetin 511.9
    span 80 461.48
    1,4-butanediol 626.19
    1,1-dichloroethane 1715.76
    2-methyl-1-pentanol 841.44
    methyl formate 897.87
    2-methyl-1-butanol 1147.68
    n-decane 128.14
    butyronitrile 1054.06
    3,7-dimethyl-1-octanol 455.48
    1-chlorooctane 425.53
    1-chlorotetradecane 171.45
    n-nonane 139.76
    undecane 96.74
    tert-butylcyclohexane 243.88
    cyclooctane 173.21
    cyclopentanol 1234.99
    tetrahydropyran 1607.29
    tert-amyl methyl ether 1017.8
    2,5,8-trioxanonane 755.33
    1-hexene 761.12
    2-isopropoxyethanol 745.04
    2,2,2-trifluoroethanol 482.88
    methyl butyrate 664.49

    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