2,4-Dimethyloxazole

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  • Identifiers

    CAS number
    7208-05-1

    Molecular formula
    C5H7NO

    SMILES
    CC1=COC(=N1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 73.04%
    Nutty 70.28%
    Roasted 65.94%
    Meaty 59.25%
    Vegetable 57.12%
    Cocoa 49.56%
    Musty 47.59%
    Burnt 46.98%
    Coffee 44.95%
    Earthy 44.85%

     

    Flavor
    Roasted 63.52%
    Nutty 59.88%
    Coffee 53.61%
    Cocoa 45.94%
    Burnt 42.95%
    Roast 39.0%
    Vegetable 37.28%
    Chocolate 36.44%
    Meaty 34.11%
    Musty 33.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    4.9 (weak acid)

    Molecular weight
    97.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 108.00 °C. @ 760.00 mm Hg

    Flash point

    • 22.28 ˚C est.

  • Synonyms

    • 2,4-Dimethyloxazole
    • 7208-05-1
    • 2,4-Dimethyl-1,3-oxazole
    • Oxazole, 2,4-dimethyl-
    • G0W5QQT2LD
    • DTXSID60222408
    • RefChem:443788
    • DTXCID20144899
    • 679-861-5
    • dimethyl oxazole
    • MFCD00234124
    • 2,4-DIMETHYL-OXAZOLE
    • UNII-G0W5QQT2LD
    • SCHEMBL408183
    • SCHEMBL428940
    • orb3023484
    • SCHEMBL1640930
    • SCHEMBL5545210
    • SCHEMBL5746675
    • 2,4-Dimethyl-1,3-oxazole #
    • CHEBI:195692
    • AKOS006280508
    • CS-W011337
    • FD75379
    • SY053468
    • DB-074523
    • DB-243437
    • D3766
    • EN300-102560
    • T71266
    • 208D051
    • InChI=1/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H
    • 7208-05-1

  • Applications

    2,4-Dimethyloxazole (CAS 7208-05-1) is primarily used as an intermediate in organic synthesis, providing a versatile building block for the construction of more complex heterocycles in pharmaceutical and agrochemical development. It is commonly evaluated as a precursor for medicinal chemistry programs and as a scaffold for targeted functionalization. In addition, it may serve as a specialty reagent in polymer and materials chemistry, including the design of oxazole-containing architectures, with applications in research and development under appropriate regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 569.26
    methanol 833.19
    isopropanol 445.49
    water 139.36
    ethyl acetate 278.41
    n-propanol 469.67
    acetone 377.15
    n-butanol 426.97
    acetonitrile 356.89
    DMF 663.55
    toluene 222.06
    isobutanol 413.04
    1,4-dioxane 496.85
    methyl acetate 321.63
    THF 620.44
    2-butanone 333.09
    n-pentanol 292.39
    sec-butanol 440.23
    n-hexane 82.72
    ethylene glycol 245.47
    NMP 752.32
    cyclohexane 82.05
    DMSO 544.44
    n-butyl acetate 117.58
    n-octanol 132.79
    chloroform 709.77
    n-propyl acetate 116.06
    acetic acid 448.37
    dichloromethane 802.54
    cyclohexanone 356.62
    propylene glycol 251.79
    isopropyl acetate 166.03
    DMAc 749.46
    2-ethoxyethanol 414.98
    isopentanol 363.89
    n-heptane 43.29
    ethyl formate 219.35
    1,2-dichloroethane 389.16
    n-hexanol 202.57
    2-methoxyethanol 727.67
    isobutyl acetate 82.46
    tetrachloromethane 194.6
    n-pentyl acetate 112.91
    transcutol 550.69
    n-heptanol 107.66
    ethylbenzene 95.73
    MIBK 160.8
    2-propoxyethanol 346.08
    tert-butanol 498.1
    MTBE 400.31
    2-butoxyethanol 184.12
    propionic acid 303.89
    o-xylene 155.12
    formic acid 419.25
    diethyl ether 374.72
    m-xylene 149.72
    p-xylene 129.48
    chlorobenzene 227.1
    dimethyl carbonate 133.81
    n-octane 21.18
    formamide 435.72
    cyclopentanone 413.42
    2-pentanone 251.34
    anisole 199.74
    cyclopentyl methyl ether 352.99
    gamma-butyrolactone 462.33
    1-methoxy-2-propanol 485.84
    pyridine 360.99
    3-pentanone 228.32
    furfural 478.14
    n-dodecane 19.85
    diethylene glycol 298.41
    diisopropyl ether 118.1
    tert-amyl alcohol 499.59
    acetylacetone 254.2
    n-hexadecane 20.98
    acetophenone 153.75
    methyl propionate 261.56
    isopentyl acetate 115.36
    trichloroethylene 556.24
    n-nonanol 117.09
    cyclohexanol 330.13
    benzyl alcohol 181.6
    2-ethylhexanol 121.21
    isooctanol 91.98
    dipropyl ether 120.21
    1,2-dichlorobenzene 199.58
    ethyl lactate 88.29
    propylene carbonate 219.56
    n-methylformamide 406.9
    2-pentanol 292.22
    n-pentane 96.6
    1-propoxy-2-propanol 202.92
    1-methoxy-2-propyl acetate 147.59
    2-(2-methoxypropoxy) propanol 176.22
    mesitylene 93.68
    ε-caprolactone 306.12
    p-cymene 64.19
    epichlorohydrin 529.12
    1,1,1-trichloroethane 380.97
    2-aminoethanol 399.26
    morpholine-4-carbaldehyde 578.33
    sulfolane 477.96
    2,2,4-trimethylpentane 62.74
    2-methyltetrahydrofuran 555.35
    n-hexyl acetate 165.65
    isooctane 31.96
    2-(2-butoxyethoxy)ethanol 225.31
    sec-butyl acetate 96.11
    tert-butyl acetate 178.85
    decalin 49.25
    glycerin 332.91
    diglyme 352.52
    acrylic acid 285.53
    isopropyl myristate 72.89
    n-butyric acid 315.52
    acetyl acetate 159.3
    di(2-ethylhexyl) phthalate 84.97
    ethyl propionate 132.18
    nitromethane 551.6
    1,2-diethoxyethane 183.67
    benzonitrile 191.2
    trioctyl phosphate 57.39
    1-bromopropane 326.14
    gamma-valerolactone 530.68
    n-decanol 85.24
    triethyl phosphate 69.73
    4-methyl-2-pentanol 152.13
    propionitrile 282.09
    vinylene carbonate 227.73
    1,1,2-trichlorotrifluoroethane 386.13
    DMS 134.95
    cumene 78.87
    2-octanol 88.26
    2-hexanone 144.04
    octyl acetate 95.06
    limonene 98.69
    1,2-dimethoxyethane 448.09
    ethyl orthosilicate 72.31
    tributyl phosphate 71.25
    diacetone alcohol 214.59
    N,N-dimethylaniline 164.99
    acrylonitrile 297.34
    aniline 278.64
    1,3-propanediol 424.69
    bromobenzene 218.05
    dibromomethane 516.28
    1,1,2,2-tetrachloroethane 431.97
    2-methyl-cyclohexyl acetate 98.72
    tetrabutyl urea 97.27
    diisobutyl methanol 72.9
    2-phenylethanol 144.44
    styrene 117.89
    dioctyl adipate 94.94
    dimethyl sulfate 224.05
    ethyl butyrate 98.39
    methyl lactate 163.3
    butyl lactate 91.25
    diethyl carbonate 74.59
    propanediol butyl ether 171.24
    triethyl orthoformate 84.02
    p-tert-butyltoluene 64.09
    methyl 4-tert-butylbenzoate 164.15
    morpholine 570.65
    tert-butylamine 375.31
    n-dodecanol 65.35
    dimethoxymethane 415.18
    ethylene carbonate 184.43
    cyrene 178.62
    2-ethoxyethyl acetate 153.32
    2-ethylhexyl acetate 97.67
    1,2,4-trichlorobenzene 239.16
    4-methylpyridine 404.83
    dibutyl ether 125.57
    2,6-dimethyl-4-heptanol 72.9
    DEF 352.91
    dimethyl isosorbide 257.7
    tetrachloroethylene 299.9
    eugenol 154.3
    triacetin 157.48
    span 80 142.74
    1,4-butanediol 210.61
    1,1-dichloroethane 448.33
    2-methyl-1-pentanol 272.54
    methyl formate 298.54
    2-methyl-1-butanol 405.58
    n-decane 29.25
    butyronitrile 287.05
    3,7-dimethyl-1-octanol 133.03
    1-chlorooctane 88.63
    1-chlorotetradecane 40.65
    n-nonane 29.79
    undecane 22.91
    tert-butylcyclohexane 52.57
    cyclooctane 33.11
    cyclopentanol 387.69
    tetrahydropyran 415.08
    tert-amyl methyl ether 339.28
    2,5,8-trioxanonane 265.25
    1-hexene 157.75
    2-isopropoxyethanol 263.56
    2,2,2-trifluoroethanol 221.68
    methyl butyrate 164.79

    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