4,5-Dimethyl-2-propyloxazole

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  • Identifiers

    CAS number
    53833-32-2

    Molecular formula
    C8H13NO

    SMILES
    CCCC1=NC(=C(O1)C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Roasted 64.57%
    Green 62.29%
    Nutty 58.53%
    Vegetable 51.34%
    Earthy 51.34%
    Burnt 48.94%
    Fatty 47.77%
    Meaty 41.15%
    Musty 40.8%
    Herbal 39.1%

     

    Flavor
    Roasted 62.71%
    Burnt 52.02%
    Nutty 47.59%
    Earthy 47.31%
    Vegetable 41.95%
    Green 36.45%
    Coffee 34.34%
    Meaty 34.17%
    Potato 32.75%
    Roast 31.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.24 (neutral)

    Molecular weight
    139.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 59.00 °C. @ 760.00 mm Hg

    Boiling point

    • 188.00 to 189.00 °C. @ 760.00 mm Hg

    Flash point

    • 59.14 ˚C est.

    Solubility expt.

    • slightly
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 4,5-Dimethyl-2-propyloxazole
    • Oxazole, 4,5-dimethyl-2-propyl-
    • 53833-32-2
    • 4,5-Dimethyl-2-propyl-1,3-oxazole
    • 4,5-dimethyl-2-propyl oxazole
    • 2-n-Propyl-4,5-dimethyloxazole
    • EINECS 258-817-5
    • UNII-2Y81J9YG1G
    • 2Y81J9YG1G
    • 4,5-Dimethyl-2-propyl-Oxazole
    • DTXSID8068886
    • FEMA NO. 4396
    • 2-PROPYL-4,5-DIMETHYLOXAZOLE [FHFI]
    • 2Propyl4,5dimethyl oxazole
    • Oxazole, 4,5dimethyl2propyl
    • SCHEMBL3509505
    • 2-n-Propyl-4,5-dimethyloxazol
    • 2-Propyl-4,5-dimethyl oxazole
    • DTXCID0041517
    • CHEBI:179648
    • 2-PROPYL-4,5-DIMETHYLOXAZOLE
    • 4,5-Dimethyl-2-propyl-1,3-oxazole #
    • DB-357670
    • NS00022330
    • Q27255799
    • 258-817-5

  • Applications

    4,5-Dimethyl-2-propyloxazole (CAS 53833-32-2) is primarily used as an organic synthetic intermediate and building block for the preparation of more complex oxazole-containing compounds. In pharmaceutical and agrochemical research and development, it may serve as a starting material for diverse oxazole derivatives and libraries. In polymer and coatings contexts, it can function as a precursor to specialty monomers or functional additives for advanced polymers and coating materials. It may also be used as a precursor in dye and pigment chemistry for oxazole-containing coloration systems, and as a general research chemical in synthesis workflows, with usage governed by project requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2531.78
    methanol 3174.38
    isopropanol 1969.03
    water 22.68
    ethyl acetate 941.89
    n-propanol 2205.59
    acetone 1231.67
    n-butanol 1963.34
    acetonitrile 1520.71
    DMF 1728.58
    toluene 1080.4
    isobutanol 1700.23
    1,4-dioxane 2083.53
    methyl acetate 983.79
    THF 2530.94
    2-butanone 1150.13
    n-pentanol 1496.1
    sec-butanol 1964.59
    n-hexane 697.2
    ethylene glycol 475.67
    NMP 1648.81
    cyclohexane 884.43
    DMSO 1476.41
    n-butyl acetate 986.27
    n-octanol 978.26
    chloroform 6475.5
    n-propyl acetate 704.55
    acetic acid 1428.68
    dichloromethane 6013.3
    cyclohexanone 1843.16
    propylene glycol 710.35
    isopropyl acetate 619.98
    DMAc 1473.22
    2-ethoxyethanol 1258.57
    isopentanol 1456.73
    n-heptane 392.75
    ethyl formate 999.97
    1,2-dichloroethane 2163.38
    n-hexanol 1433.93
    2-methoxyethanol 1816.92
    isobutyl acetate 503.22
    tetrachloromethane 1274.55
    n-pentyl acetate 742.98
    transcutol 1748.12
    n-heptanol 755.36
    ethylbenzene 775.02
    MIBK 621.89
    2-propoxyethanol 1309.17
    tert-butanol 1689.68
    MTBE 1349.97
    2-butoxyethanol 829.09
    propionic acid 1119.61
    o-xylene 679.5
    formic acid 561.52
    diethyl ether 1479.26
    m-xylene 625.86
    p-xylene 1088.0
    chlorobenzene 1557.66
    dimethyl carbonate 389.93
    n-octane 218.52
    formamide 679.58
    cyclopentanone 1713.63
    2-pentanone 933.5
    anisole 947.81
    cyclopentyl methyl ether 1277.13
    gamma-butyrolactone 1762.05
    1-methoxy-2-propanol 1200.15
    pyridine 2109.8
    3-pentanone 767.79
    furfural 1783.91
    n-dodecane 175.77
    diethylene glycol 804.5
    diisopropyl ether 456.54
    tert-amyl alcohol 1642.75
    acetylacetone 802.66
    n-hexadecane 191.81
    acetophenone 811.11
    methyl propionate 763.22
    isopentyl acetate 808.6
    trichloroethylene 3852.37
    n-nonanol 775.46
    cyclohexanol 1607.96
    benzyl alcohol 956.78
    2-ethylhexanol 842.0
    isooctanol 582.82
    dipropyl ether 814.02
    1,2-dichlorobenzene 1313.25
    ethyl lactate 370.46
    propylene carbonate 1108.55
    n-methylformamide 1088.75
    2-pentanol 1260.44
    n-pentane 588.31
    1-propoxy-2-propanol 889.0
    1-methoxy-2-propyl acetate 602.19
    2-(2-methoxypropoxy) propanol 633.32
    mesitylene 402.47
    ε-caprolactone 1460.52
    p-cymene 422.05
    epichlorohydrin 2152.96
    1,1,1-trichloroethane 2166.64
    2-aminoethanol 1014.78
    morpholine-4-carbaldehyde 1414.41
    sulfolane 1761.99
    2,2,4-trimethylpentane 284.22
    2-methyltetrahydrofuran 1997.43
    n-hexyl acetate 1145.16
    isooctane 175.06
    2-(2-butoxyethoxy)ethanol 863.83
    sec-butyl acetate 477.88
    tert-butyl acetate 604.17
    decalin 345.79
    glycerin 640.31
    diglyme 1378.32
    acrylic acid 879.15
    isopropyl myristate 452.66
    n-butyric acid 1499.17
    acetyl acetate 639.81
    di(2-ethylhexyl) phthalate 438.11
    ethyl propionate 626.57
    nitromethane 1416.49
    1,2-diethoxyethane 891.45
    benzonitrile 1423.76
    trioctyl phosphate 327.62
    1-bromopropane 2096.5
    gamma-valerolactone 1814.6
    n-decanol 565.2
    triethyl phosphate 316.69
    4-methyl-2-pentanol 611.96
    propionitrile 1465.59
    vinylene carbonate 1275.07
    1,1,2-trichlorotrifluoroethane 1304.33
    DMS 639.08
    cumene 547.37
    2-octanol 657.08
    2-hexanone 816.7
    octyl acetate 613.75
    limonene 604.67
    1,2-dimethoxyethane 1897.77
    ethyl orthosilicate 321.59
    tributyl phosphate 393.4
    diacetone alcohol 630.97
    N,N-dimethylaniline 756.8
    acrylonitrile 1477.54
    aniline 1112.48
    1,3-propanediol 1192.51
    bromobenzene 1782.41
    dibromomethane 4086.45
    1,1,2,2-tetrachloroethane 3115.18
    2-methyl-cyclohexyl acetate 557.82
    tetrabutyl urea 507.12
    diisobutyl methanol 371.9
    2-phenylethanol 816.71
    styrene 969.44
    dioctyl adipate 575.39
    dimethyl sulfate 540.53
    ethyl butyrate 659.93
    methyl lactate 413.51
    butyl lactate 541.08
    diethyl carbonate 480.81
    propanediol butyl ether 800.12
    triethyl orthoformate 453.24
    p-tert-butyltoluene 392.73
    methyl 4-tert-butylbenzoate 697.58
    morpholine 2182.95
    tert-butylamine 1473.13
    n-dodecanol 442.47
    dimethoxymethane 1207.55
    ethylene carbonate 1012.76
    cyrene 559.03
    2-ethoxyethyl acetate 694.95
    2-ethylhexyl acetate 670.36
    1,2,4-trichlorobenzene 1430.92
    4-methylpyridine 2119.51
    dibutyl ether 934.69
    2,6-dimethyl-4-heptanol 371.9
    DEF 1148.57
    dimethyl isosorbide 890.24
    tetrachloroethylene 2222.59
    eugenol 685.65
    triacetin 692.05
    span 80 702.9
    1,4-butanediol 705.31
    1,1-dichloroethane 2530.4
    2-methyl-1-pentanol 1324.97
    methyl formate 837.3
    2-methyl-1-butanol 1570.28
    n-decane 282.96
    butyronitrile 1842.5
    3,7-dimethyl-1-octanol 750.71
    1-chlorooctane 755.25
    1-chlorotetradecane 324.3
    n-nonane 314.72
    undecane 215.13
    tert-butylcyclohexane 316.79
    cyclooctane 271.4
    cyclopentanol 1705.5
    tetrahydropyran 2244.78
    tert-amyl methyl ether 1038.64
    2,5,8-trioxanonane 934.88
    1-hexene 1384.0
    2-isopropoxyethanol 803.7
    2,2,2-trifluoroethanol 435.78
    methyl butyrate 907.77

    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