2-Methyl-4-propyloxazole

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  • Identifiers

    CAS number
    126484-99-9

    Molecular formula
    C7H11NO

    SMILES
    CCCC1=COC(=N1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 81.74%
    Vegetable 59.76%
    Roasted 55.92%
    Nutty 55.29%
    Earthy 45.42%
    Meaty 43.63%
    Fatty 41.78%
    Burnt 39.48%
    Fruity 37.85%
    Musty 34.03%

     

    Flavor
    Roasted 58.86%
    Nutty 46.51%
    Green 43.75%
    Burnt 42.59%
    Earthy 41.69%
    Vegetable 39.52%
    Coffee 33.91%
    Meaty 31.58%
    Potato 28.6%
    Roast 27.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.54 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    139°C

    Flash point

    • 53.36 ˚C est.

  • Synonyms

    • 2-Methyl-4-propyloxazole
    • 2-methyl-4-propyl-1,3-oxazole
    • Oxazole, 2-methyl-4-propyl
    • 126484-99-9
    • SCHEMBL4544334
    • SCHEMBL5541446
    • SCHEMBL5545721
    • CHEBI:193623
    • RNLOKHYLXARFPN-UHFFFAOYSA-N
    • DTXSID401312777
    • 126484-99-9

  • Applications

    2-Methyl-4-propyloxazole (CAS 126484-99-9) is primarily used as a synthetic building block for heterocyclic compounds in medicinal chemistry and agrochemical research. It serves as an intermediate in the development of pharmaceutical agents and crop-protection compounds. The oxazole ring with the methyl and propyl substituents makes it a useful precursor for specialty polymers and organic electronic materials, where it can be incorporated as a monomer or functional component for coatings and inks. Additionally, it is explored as a scaffold for the preparation of libraries of bioactive compounds and potential agrochemical candidates, and may participate in industrial manufacturing as a reactive building block under appropriate process controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 822.48
    methanol 1314.18
    isopropanol 563.72
    water 8.47
    ethyl acetate 192.72
    n-propanol 622.49
    acetone 328.78
    n-butanol 564.89
    acetonitrile 345.57
    DMF 858.77
    toluene 238.91
    isobutanol 497.08
    1,4-dioxane 569.52
    methyl acetate 222.7
    THF 734.6
    2-butanone 270.02
    n-pentanol 432.0
    sec-butanol 501.87
    n-hexane 88.26
    ethylene glycol 296.65
    NMP 628.99
    cyclohexane 157.9
    DMSO 764.96
    n-butyl acetate 228.09
    n-octanol 239.25
    chloroform 1415.97
    n-propyl acetate 134.54
    acetic acid 574.41
    dichloromethane 1208.27
    cyclohexanone 495.62
    propylene glycol 348.64
    isopropyl acetate 127.27
    DMAc 589.5
    2-ethoxyethanol 375.9
    isopentanol 407.03
    n-heptane 75.78
    ethyl formate 239.73
    1,2-dichloroethane 454.49
    n-hexanol 464.25
    2-methoxyethanol 645.66
    isobutyl acetate 110.92
    tetrachloromethane 236.1
    n-pentyl acetate 162.7
    transcutol 630.66
    n-heptanol 201.21
    ethylbenzene 147.19
    MIBK 158.84
    2-propoxyethanol 485.68
    tert-butanol 536.88
    MTBE 301.05
    2-butoxyethanol 253.46
    propionic acid 385.51
    o-xylene 168.21
    formic acid 255.15
    diethyl ether 284.61
    m-xylene 159.73
    p-xylene 200.49
    chlorobenzene 367.92
    dimethyl carbonate 121.3
    n-octane 35.41
    formamide 231.38
    cyclopentanone 476.62
    2-pentanone 221.55
    anisole 240.08
    cyclopentyl methyl ether 311.97
    gamma-butyrolactone 515.35
    1-methoxy-2-propanol 460.46
    pyridine 498.36
    3-pentanone 182.63
    furfural 578.42
    n-dodecane 37.85
    diethylene glycol 392.13
    diisopropyl ether 86.69
    tert-amyl alcohol 436.46
    acetylacetone 215.39
    n-hexadecane 41.31
    acetophenone 212.19
    methyl propionate 198.5
    isopentyl acetate 200.58
    trichloroethylene 876.86
    n-nonanol 194.68
    cyclohexanol 444.36
    benzyl alcohol 269.79
    2-ethylhexanol 239.54
    isooctanol 153.78
    dipropyl ether 190.69
    1,2-dichlorobenzene 327.09
    ethyl lactate 126.76
    propylene carbonate 328.02
    n-methylformamide 387.27
    2-pentanol 313.36
    n-pentane 101.17
    1-propoxy-2-propanol 327.8
    1-methoxy-2-propyl acetate 191.63
    2-(2-methoxypropoxy) propanol 252.66
    mesitylene 102.94
    ε-caprolactone 387.21
    p-cymene 112.92
    epichlorohydrin 547.89
    1,1,1-trichloroethane 487.51
    2-aminoethanol 452.62
    morpholine-4-carbaldehyde 543.46
    sulfolane 693.54
    2,2,4-trimethylpentane 58.22
    2-methyltetrahydrofuran 452.6
    n-hexyl acetate 265.51
    isooctane 38.05
    2-(2-butoxyethoxy)ethanol 313.98
    sec-butyl acetate 96.05
    tert-butyl acetate 147.69
    decalin 67.29
    glycerin 386.47
    diglyme 462.15
    acrylic acid 328.65
    isopropyl myristate 123.87
    n-butyric acid 431.16
    acetyl acetate 150.77
    di(2-ethylhexyl) phthalate 153.49
    ethyl propionate 126.32
    nitromethane 454.41
    1,2-diethoxyethane 214.37
    benzonitrile 356.87
    trioctyl phosphate 107.9
    1-bromopropane 391.68
    gamma-valerolactone 557.04
    n-decanol 150.17
    triethyl phosphate 99.36
    4-methyl-2-pentanol 167.61
    propionitrile 365.08
    vinylene carbonate 381.68
    1,1,2-trichlorotrifluoroethane 446.47
    DMS 179.28
    cumene 119.44
    2-octanol 151.5
    2-hexanone 174.73
    octyl acetate 161.95
    limonene 170.53
    1,2-dimethoxyethane 531.42
    ethyl orthosilicate 96.57
    tributyl phosphate 120.92
    diacetone alcohol 205.55
    N,N-dimethylaniline 210.1
    acrylonitrile 414.05
    aniline 309.03
    1,3-propanediol 465.69
    bromobenzene 404.55
    dibromomethane 796.54
    1,1,2,2-tetrachloroethane 719.8
    2-methyl-cyclohexyl acetate 160.88
    tetrabutyl urea 169.44
    diisobutyl methanol 115.82
    2-phenylethanol 251.96
    styrene 184.24
    dioctyl adipate 176.22
    dimethyl sulfate 217.55
    ethyl butyrate 149.11
    methyl lactate 176.62
    butyl lactate 159.92
    diethyl carbonate 124.19
    propanediol butyl ether 291.95
    triethyl orthoformate 118.16
    p-tert-butyltoluene 107.71
    methyl 4-tert-butylbenzoate 238.17
    morpholine 636.66
    tert-butylamine 388.17
    n-dodecanol 122.76
    dimethoxymethane 401.57
    ethylene carbonate 284.38
    cyrene 225.17
    2-ethoxyethyl acetate 183.45
    2-ethylhexyl acetate 164.69
    1,2,4-trichlorobenzene 355.53
    4-methylpyridine 496.88
    dibutyl ether 183.43
    2,6-dimethyl-4-heptanol 115.82
    DEF 328.88
    dimethyl isosorbide 348.81
    tetrachloroethylene 499.41
    eugenol 242.44
    triacetin 227.48
    span 80 269.87
    1,4-butanediol 272.11
    1,1-dichloroethane 523.6
    2-methyl-1-pentanol 351.69
    methyl formate 295.84
    2-methyl-1-butanol 426.75
    n-decane 52.68
    butyronitrile 430.08
    3,7-dimethyl-1-octanol 205.38
    1-chlorooctane 153.46
    1-chlorotetradecane 79.19
    n-nonane 53.74
    undecane 43.42
    tert-butylcyclohexane 67.84
    cyclooctane 45.27
    cyclopentanol 493.36
    tetrahydropyran 553.17
    tert-amyl methyl ether 233.21
    2,5,8-trioxanonane 376.72
    1-hexene 239.69
    2-isopropoxyethanol 242.81
    2,2,2-trifluoroethanol 155.93
    methyl butyrate 190.27

    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