2,4-Dimethyl-5-propyloxazole

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  • Identifiers

    CAS number
    84027-86-1

    Molecular formula
    C8H13NO

    SMILES
    CCCC1=C(N=C(O1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 70.54%
    Roasted 65.0%
    Nutty 62.91%
    Vegetable 56.58%
    Earthy 56.38%
    Burnt 48.58%
    Musty 43.47%
    Meaty 42.61%
    Fatty 41.93%
    Fruity 38.04%

     

    Flavor
    Roasted 65.83%
    Burnt 54.75%
    Nutty 49.97%
    Earthy 47.02%
    Vegetable 39.54%
    Coffee 38.55%
    Meaty 37.62%
    Roast 35.37%
    Potato 34.95%
    Musty 33.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.26 (neutral)

    Molecular weight
    139.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    194°C

    Flash point

    • 61.08 ˚C est.

  • Synonyms

    • 2,4-dimethyl-5-propyloxazole
    • 2,4-dimethyl-5-propyl-1,3-oxazole
    • 84027-86-1
    • RefChem:82514
    • PSGAPKDEFJWSNU-UHFFFAOYSA-N
    • SCHEMBL13602623
    • CHEBI:179647
    • Oxazole, 2,4-dimethyl-5-propyl
    • DTXSID101308894
    • 84027-86-1

  • Applications

    2,4-Dimethyl-5-propyloxazole (CAS 84027-86-1) is primarily used as a synthetic building block in organic chemistry, serving as a heterocyclic precursor for oxazole-containing compounds. In pharmaceutical and agrochemical development, it is commonly evaluated as a starting point for the preparation of oxazole derivatives. In polymer and plastics chemistry, it can function as a specialty building block for functional monomers or as a precursor to advanced materials. In coatings, inks, and adhesives, it may be used as a reactive intermediate to introduce oxazole functionalities into formulations, potentially enhancing adhesion or environmental resistance. In fragrance research, oxazole-containing fragments are sometimes explored as odor-active components, with applications subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1818.06
    methanol 2612.99
    isopropanol 1333.73
    water 20.71
    ethyl acetate 768.58
    n-propanol 1619.09
    acetone 1001.84
    n-butanol 1408.32
    acetonitrile 1080.01
    DMF 1747.92
    toluene 813.55
    isobutanol 1247.1
    1,4-dioxane 1718.35
    methyl acetate 796.55
    THF 2130.32
    2-butanone 857.72
    n-pentanol 1032.59
    sec-butanol 1354.67
    n-hexane 482.19
    ethylene glycol 513.17
    NMP 1592.66
    cyclohexane 623.43
    DMSO 1367.04
    n-butyl acetate 707.92
    n-octanol 713.64
    chloroform 4126.37
    n-propyl acetate 521.59
    acetic acid 1044.8
    dichloromethane 4229.03
    cyclohexanone 1470.61
    propylene glycol 612.07
    isopropyl acetate 487.43
    DMAc 1336.12
    2-ethoxyethanol 984.58
    isopentanol 1019.63
    n-heptane 298.01
    ethyl formate 750.01
    1,2-dichloroethane 1766.81
    n-hexanol 1114.23
    2-methoxyethanol 1582.17
    isobutyl acetate 395.25
    tetrachloromethane 915.67
    n-pentyl acetate 587.2
    transcutol 1326.62
    n-heptanol 547.0
    ethylbenzene 571.63
    MIBK 514.92
    2-propoxyethanol 1158.77
    tert-butanol 1191.33
    MTBE 1024.97
    2-butoxyethanol 639.15
    propionic acid 855.64
    o-xylene 552.77
    formic acid 467.15
    diethyl ether 1141.38
    m-xylene 531.66
    p-xylene 734.79
    chlorobenzene 1176.18
    dimethyl carbonate 402.47
    n-octane 161.26
    formamide 485.18
    cyclopentanone 1433.85
    2-pentanone 765.78
    anisole 759.9
    cyclopentyl methyl ether 1152.16
    gamma-butyrolactone 1541.99
    1-methoxy-2-propanol 1051.62
    pyridine 1425.35
    3-pentanone 649.43
    furfural 1529.06
    n-dodecane 134.45
    diethylene glycol 790.91
    diisopropyl ether 355.17
    tert-amyl alcohol 1149.94
    acetylacetone 700.49
    n-hexadecane 146.9
    acetophenone 630.92
    methyl propionate 709.08
    isopentyl acetate 599.32
    trichloroethylene 2813.83
    n-nonanol 572.13
    cyclohexanol 1225.48
    benzyl alcohol 716.71
    2-ethylhexanol 643.32
    isooctanol 434.16
    dipropyl ether 662.17
    1,2-dichlorobenzene 1080.46
    ethyl lactate 324.78
    propylene carbonate 934.59
    n-methylformamide 978.43
    2-pentanol 870.53
    n-pentane 433.3
    1-propoxy-2-propanol 717.09
    1-methoxy-2-propyl acetate 526.76
    2-(2-methoxypropoxy) propanol 529.94
    mesitylene 361.4
    ε-caprolactone 1195.43
    p-cymene 351.44
    epichlorohydrin 1842.11
    1,1,1-trichloroethane 1628.54
    2-aminoethanol 899.36
    morpholine-4-carbaldehyde 1334.78
    sulfolane 1686.46
    2,2,4-trimethylpentane 224.33
    2-methyltetrahydrofuran 1560.97
    n-hexyl acetate 895.46
    isooctane 143.0
    2-(2-butoxyethoxy)ethanol 678.72
    sec-butyl acetate 362.77
    tert-butyl acetate 502.75
    decalin 283.72
    glycerin 643.06
    diglyme 1100.11
    acrylic acid 705.05
    isopropyl myristate 357.97
    n-butyric acid 1029.58
    acetyl acetate 500.03
    di(2-ethylhexyl) phthalate 364.49
    ethyl propionate 517.33
    nitromethane 1147.95
    1,2-diethoxyethane 670.65
    benzonitrile 1023.71
    trioctyl phosphate 271.54
    1-bromopropane 1502.51
    gamma-valerolactone 1539.64
    n-decanol 413.23
    triethyl phosphate 268.29
    4-methyl-2-pentanol 470.09
    propionitrile 1124.74
    vinylene carbonate 1048.28
    1,1,2-trichlorotrifluoroethane 1063.36
    DMS 563.05
    cumene 425.81
    2-octanol 481.01
    2-hexanone 599.93
    octyl acetate 470.49
    limonene 519.21
    1,2-dimethoxyethane 1489.91
    ethyl orthosilicate 265.09
    tributyl phosphate 317.39
    diacetone alcohol 511.84
    N,N-dimethylaniline 625.93
    acrylonitrile 1165.26
    aniline 804.73
    1,3-propanediol 1009.95
    bromobenzene 1367.01
    dibromomethane 2920.64
    1,1,2,2-tetrachloroethane 2260.04
    2-methyl-cyclohexyl acetate 448.02
    tetrabutyl urea 417.39
    diisobutyl methanol 303.98
    2-phenylethanol 645.6
    styrene 686.75
    dioctyl adipate 455.42
    dimethyl sulfate 582.82
    ethyl butyrate 507.48
    methyl lactate 400.71
    butyl lactate 436.7
    diethyl carbonate 358.24
    propanediol butyl ether 636.93
    triethyl orthoformate 356.91
    p-tert-butyltoluene 330.24
    methyl 4-tert-butylbenzoate 606.84
    morpholine 1745.88
    tert-butylamine 1026.8
    n-dodecanol 321.2
    dimethoxymethane 1177.97
    ethylene carbonate 844.77
    cyrene 491.91
    2-ethoxyethyl acetate 594.58
    2-ethylhexyl acetate 503.24
    1,2,4-trichlorobenzene 1142.91
    4-methylpyridine 1495.8
    dibutyl ether 662.29
    2,6-dimethyl-4-heptanol 303.98
    DEF 964.78
    dimethyl isosorbide 790.88
    tetrachloroethylene 1689.58
    eugenol 568.19
    triacetin 590.47
    span 80 553.7
    1,4-butanediol 590.3
    1,1-dichloroethane 1809.59
    2-methyl-1-pentanol 909.16
    methyl formate 811.82
    2-methyl-1-butanol 1131.14
    n-decane 211.34
    butyronitrile 1250.86
    3,7-dimethyl-1-octanol 575.21
    1-chlorooctane 584.86
    1-chlorotetradecane 252.18
    n-nonane 228.34
    undecane 160.94
    tert-butylcyclohexane 265.98
    cyclooctane 220.25
    cyclopentanol 1337.14
    tetrahydropyran 1740.18
    tert-amyl methyl ether 800.0
    2,5,8-trioxanonane 771.39
    1-hexene 960.7
    2-isopropoxyethanol 631.95
    2,2,2-trifluoroethanol 353.35
    methyl butyrate 707.62

    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