4-Methyl-2-propyl-1,3-oxazole

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  • Identifiers

    CAS number
    24667-04-7

    Molecular formula
    C7H11NO

    SMILES
    CCCC1=NC(=CO1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 77.25%
    Roasted 55.92%
    Nutty 55.22%
    Vegetable 55.04%
    Earthy 44.87%
    Fatty 43.67%
    Meaty 41.51%
    Fruity 41.28%
    Burnt 40.25%
    Musty 35.66%

     

    Flavor
    Roasted 56.33%
    Green 49.31%
    Nutty 45.47%
    Earthy 42.72%
    Burnt 41.31%
    Vegetable 40.91%
    Coffee 34.28%
    Meaty 28.8%
    Potato 28.77%
    Roast 26.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.37 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 50.74 ˚C est.

  • Synonyms

    • 4-methyl-2-propyl-1,3-oxazole
    • Oxazole, 4-methyl-2-propyl
    • 4-Methyl-2-propyloxazole
    • 24667-04-7
    • 2-Propyl-4-methyloxazole
    • SCHEMBL5545109
    • SCHEMBL13827906
    • DTXSID60336019
    • BUOGNIOVIYHMFO-UHFFFAOYSA-N
    • CHEBI:193624
    • 24667-04-7

  • Applications

    4-Methyl-2-propyl-1,3-oxazole (CAS 24667-04-7) is primarily used as a synthetic intermediate and may be considered for applications in: fragrance and perfumery (as an aroma component or intermediate for odorant compounds); cosmetics and personal care (evaluated as an aroma ingredient or fragrance additive); pharmaceuticals and agrochemicals (as a precursor in the synthesis of oxazole-containing compounds); electronics and polymers (as a building block for oxazole-containing materials and coatings); and specialty chemicals production (as a versatile intermediate for complex synthetic routes). Its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1315.81
    methanol 1864.5
    isopropanol 894.91
    water 10.65
    ethyl acetate 482.93
    n-propanol 978.58
    acetone 790.57
    n-butanol 921.14
    acetonitrile 840.79
    DMF 1346.48
    toluene 437.15
    isobutanol 805.55
    1,4-dioxane 990.49
    methyl acetate 514.27
    THF 1350.19
    2-butanone 616.82
    n-pentanol 783.52
    sec-butanol 853.51
    n-hexane 232.64
    ethylene glycol 338.48
    NMP 1107.69
    cyclohexane 319.99
    DMSO 1207.82
    n-butyl acetate 605.69
    n-octanol 552.67
    chloroform 3049.68
    n-propyl acetate 395.88
    acetic acid 1149.62
    dichloromethane 2823.8
    cyclohexanone 1022.73
    propylene glycol 436.15
    isopropyl acetate 311.91
    DMAc 949.97
    2-ethoxyethanol 651.38
    isopentanol 725.9
    n-heptane 180.28
    ethyl formate 565.98
    1,2-dichloroethane 1074.92
    n-hexanol 847.04
    2-methoxyethanol 995.62
    isobutyl acetate 290.84
    tetrachloromethane 486.5
    n-pentyl acetate 418.73
    transcutol 1180.43
    n-heptanol 408.59
    ethylbenzene 329.44
    MIBK 344.1
    2-propoxyethanol 800.67
    tert-butanol 864.55
    MTBE 579.73
    2-butoxyethanol 481.47
    propionic acid 711.38
    o-xylene 310.24
    formic acid 379.68
    diethyl ether 569.16
    m-xylene 298.29
    p-xylene 483.01
    chlorobenzene 787.56
    dimethyl carbonate 262.71
    n-octane 91.62
    formamide 402.05
    cyclopentanone 1042.25
    2-pentanone 522.82
    anisole 487.09
    cyclopentyl methyl ether 628.01
    gamma-butyrolactone 1137.12
    1-methoxy-2-propanol 695.94
    pyridine 1077.88
    3-pentanone 399.56
    furfural 1165.29
    n-dodecane 90.9
    diethylene glycol 537.88
    diisopropyl ether 192.25
    tert-amyl alcohol 759.01
    acetylacetone 501.96
    n-hexadecane 97.91
    acetophenone 474.0
    methyl propionate 436.47
    isopentyl acetate 492.73
    trichloroethylene 2057.08
    n-nonanol 423.77
    cyclohexanol 759.27
    benzyl alcohol 499.13
    2-ethylhexanol 478.07
    isooctanol 319.42
    dipropyl ether 431.83
    1,2-dichlorobenzene 711.35
    ethyl lactate 244.96
    propylene carbonate 727.84
    n-methylformamide 681.13
    2-pentanol 576.84
    n-pentane 221.29
    1-propoxy-2-propanol 580.62
    1-methoxy-2-propyl acetate 383.51
    2-(2-methoxypropoxy) propanol 450.9
    mesitylene 203.6
    ε-caprolactone 822.04
    p-cymene 238.06
    epichlorohydrin 1161.68
    1,1,1-trichloroethane 1093.87
    2-aminoethanol 609.99
    morpholine-4-carbaldehyde 931.08
    sulfolane 1339.73
    2,2,4-trimethylpentane 121.14
    2-methyltetrahydrofuran 910.31
    n-hexyl acetate 685.22
    isooctane 86.18
    2-(2-butoxyethoxy)ethanol 576.65
    sec-butyl acetate 251.34
    tert-butyl acetate 322.85
    decalin 147.53
    glycerin 469.89
    diglyme 905.68
    acrylic acid 650.15
    isopropyl myristate 278.21
    n-butyric acid 849.9
    acetyl acetate 347.42
    di(2-ethylhexyl) phthalate 291.04
    ethyl propionate 348.02
    nitromethane 1075.66
    1,2-diethoxyethane 483.36
    benzonitrile 842.96
    trioctyl phosphate 222.54
    1-bromopropane 920.99
    gamma-valerolactone 1080.62
    n-decanol 313.84
    triethyl phosphate 206.72
    4-methyl-2-pentanol 302.96
    propionitrile 798.65
    vinylene carbonate 811.61
    1,1,2-trichlorotrifluoroethane 835.2
    DMS 397.84
    cumene 248.08
    2-octanol 345.03
    2-hexanone 467.83
    octyl acetate 374.84
    limonene 349.87
    1,2-dimethoxyethane 1032.21
    ethyl orthosilicate 196.19
    tributyl phosphate 270.29
    diacetone alcohol 377.47
    N,N-dimethylaniline 410.2
    acrylonitrile 928.5
    aniline 532.48
    1,3-propanediol 672.77
    bromobenzene 904.42
    dibromomethane 1900.75
    1,1,2,2-tetrachloroethane 1649.11
    2-methyl-cyclohexyl acetate 351.03
    tetrabutyl urea 344.67
    diisobutyl methanol 221.15
    2-phenylethanol 473.41
    styrene 426.01
    dioctyl adipate 386.53
    dimethyl sulfate 412.33
    ethyl butyrate 397.07
    methyl lactate 286.81
    butyl lactate 346.48
    diethyl carbonate 300.04
    propanediol butyl ether 548.05
    triethyl orthoformate 274.25
    p-tert-butyltoluene 221.21
    methyl 4-tert-butylbenzoate 449.88
    morpholine 1071.68
    tert-butylamine 687.84
    n-dodecanol 251.93
    dimethoxymethane 696.17
    ethylene carbonate 628.04
    cyrene 393.09
    2-ethoxyethyl acetate 415.05
    2-ethylhexyl acetate 386.29
    1,2,4-trichlorobenzene 773.1
    4-methylpyridine 1050.18
    dibutyl ether 463.33
    2,6-dimethyl-4-heptanol 221.15
    DEF 691.41
    dimethyl isosorbide 611.84
    tetrachloroethylene 1151.82
    eugenol 455.63
    triacetin 486.29
    span 80 480.72
    1,4-butanediol 417.67
    1,1-dichloroethane 1247.69
    2-methyl-1-pentanol 667.83
    methyl formate 577.66
    2-methyl-1-butanol 744.66
    n-decane 133.45
    butyronitrile 975.17
    3,7-dimethyl-1-octanol 418.38
    1-chlorooctane 384.04
    1-chlorotetradecane 176.39
    n-nonane 139.72
    undecane 105.95
    tert-butylcyclohexane 147.58
    cyclooctane 101.27
    cyclopentanol 889.23
    tetrahydropyran 999.05
    tert-amyl methyl ether 439.58
    2,5,8-trioxanonane 662.65
    1-hexene 574.6
    2-isopropoxyethanol 431.14
    2,2,2-trifluoroethanol 295.61
    methyl butyrate 511.88

    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