5-Ethyl-2-methyl-4-propyloxazole

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  • Identifiers

    CAS number
    84027-92-9

    Molecular formula
    C9H15NO

    SMILES
    CCCC1=C(OC(=N1)C)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 74.5%
    Roasted 55.32%
    Nutty 54.19%
    Earthy 53.49%
    Vegetable 52.39%
    Burnt 40.59%
    Fruity 38.17%
    Fatty 37.48%
    Musty 35.39%
    Meaty 34.28%

     

    Flavor
    Roasted 54.87%
    Green 54.76%
    Earthy 51.98%
    Nutty 46.07%
    Burnt 44.63%
    Vegetable 43.38%
    Meaty 34.37%
    Potato 32.59%
    Pepper 32.25%
    Raw 29.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.74 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    196°C

    Flash point

    • 71.87 ˚C est.

  • Synonyms

    • 5-Ethyl-2-methyl-4-propyloxazole
    • 5-ethyl-2-methyl-4-propyl-1,3-oxazole
    • Oxazole, 5-ethyl-2-methyl-4-propyl
    • SCHEMBL19150067
    • CHEBI:196458
    • UXLXRNTXKGMQEG-UHFFFAOYSA-N
    • DTXSID001302324
    • 84027-92-9
    • 84027-92-9

  • Applications

    5-Ethyl-2-methyl-4-propyloxazole (CAS 84027-92-9) is used as an intermediate in organic synthesis and may function as an odorant or fragrance ingredient in perfumery and cosmetics; it can also serve as a fragrance additive for household products such as air fresheners; in industrial manufacturing, it acts as a building block for specialty chemicals and as a precursor for oxazole-containing polymers; it may be evaluated as a synthetic intermediate for pharmaceutical development or for other oxazole-containing compounds in drug research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2085.57
    methanol 2782.85
    isopropanol 1565.75
    water 5.57
    ethyl acetate 1244.28
    n-propanol 1858.5
    acetone 1794.26
    n-butanol 1729.04
    acetonitrile 1580.89
    DMF 2864.04
    toluene 1364.33
    isobutanol 1489.29
    1,4-dioxane 2423.34
    methyl acetate 1309.34
    THF 3466.81
    2-butanone 1444.73
    n-pentanol 1404.59
    sec-butanol 1596.23
    n-hexane 681.34
    ethylene glycol 472.74
    NMP 2308.42
    cyclohexane 898.28
    DMSO 2140.88
    n-butyl acetate 1412.45
    n-octanol 1009.59
    chloroform 7326.15
    n-propyl acetate 988.76
    acetic acid 1349.31
    dichloromethane 7502.36
    cyclohexanone 2542.67
    propylene glycol 608.72
    isopropyl acetate 800.89
    DMAc 1951.11
    2-ethoxyethanol 1256.63
    isopentanol 1314.12
    n-heptane 422.68
    ethyl formate 1220.13
    1,2-dichloroethane 3280.5
    n-hexanol 1537.78
    2-methoxyethanol 1907.97
    isobutyl acetate 688.43
    tetrachloromethane 1378.65
    n-pentyl acetate 1015.93
    transcutol 1757.33
    n-heptanol 755.98
    ethylbenzene 934.13
    MIBK 819.07
    2-propoxyethanol 1590.9
    tert-butanol 1463.1
    MTBE 1369.16
    2-butoxyethanol 865.15
    propionic acid 1167.24
    o-xylene 831.73
    formic acid 438.19
    diethyl ether 1532.49
    m-xylene 838.45
    p-xylene 1218.62
    chlorobenzene 2164.97
    dimethyl carbonate 661.22
    n-octane 235.45
    formamide 546.44
    cyclopentanone 2520.98
    2-pentanone 1289.7
    anisole 1258.72
    cyclopentyl methyl ether 1687.13
    gamma-butyrolactone 2690.02
    1-methoxy-2-propanol 1321.93
    pyridine 2636.09
    3-pentanone 993.79
    furfural 2483.99
    n-dodecane 203.2
    diethylene glycol 921.67
    diisopropyl ether 486.75
    tert-amyl alcohol 1373.01
    acetylacetone 1260.05
    n-hexadecane 225.71
    acetophenone 1068.4
    methyl propionate 1151.05
    isopentyl acetate 1111.42
    trichloroethylene 5640.15
    n-nonanol 802.96
    cyclohexanol 1637.38
    benzyl alcohol 1082.58
    2-ethylhexanol 924.27
    isooctanol 598.39
    dipropyl ether 1021.16
    1,2-dichlorobenzene 1850.08
    ethyl lactate 487.89
    propylene carbonate 1646.46
    n-methylformamide 1367.73
    2-pentanol 1088.42
    n-pentane 558.46
    1-propoxy-2-propanol 1020.48
    1-methoxy-2-propyl acetate 907.88
    2-(2-methoxypropoxy) propanol 754.26
    mesitylene 567.8
    ε-caprolactone 1951.36
    p-cymene 551.88
    epichlorohydrin 3164.94
    1,1,1-trichloroethane 2850.76
    2-aminoethanol 878.87
    morpholine-4-carbaldehyde 1975.64
    sulfolane 2839.09
    2,2,4-trimethylpentane 272.47
    2-methyltetrahydrofuran 2309.09
    n-hexyl acetate 1466.83
    isooctane 193.58
    2-(2-butoxyethoxy)ethanol 941.58
    sec-butyl acetate 611.61
    tert-butyl acetate 800.71
    decalin 409.59
    glycerin 661.11
    diglyme 1577.27
    acrylic acid 971.17
    isopropyl myristate 585.36
    n-butyric acid 1541.23
    acetyl acetate 851.19
    di(2-ethylhexyl) phthalate 566.52
    ethyl propionate 887.26
    nitromethane 1738.9
    1,2-diethoxyethane 1042.94
    benzonitrile 1787.82
    trioctyl phosphate 434.85
    1-bromopropane 2466.8
    gamma-valerolactone 2541.42
    n-decanol 590.02
    triethyl phosphate 432.29
    4-methyl-2-pentanol 588.66
    propionitrile 1669.15
    vinylene carbonate 1855.27
    1,1,2-trichlorotrifluoroethane 1652.84
    DMS 983.4
    cumene 632.05
    2-octanol 701.53
    2-hexanone 1039.86
    octyl acetate 768.31
    limonene 807.85
    1,2-dimethoxyethane 2177.94
    ethyl orthosilicate 416.85
    tributyl phosphate 524.15
    diacetone alcohol 750.32
    N,N-dimethylaniline 950.06
    acrylonitrile 1850.79
    aniline 1262.21
    1,3-propanediol 1108.26
    bromobenzene 2662.96
    dibromomethane 5027.41
    1,1,2,2-tetrachloroethane 4181.82
    2-methyl-cyclohexyl acetate 759.9
    tetrabutyl urea 675.49
    diisobutyl methanol 438.73
    2-phenylethanol 1017.72
    styrene 1195.03
    dioctyl adipate 779.1
    dimethyl sulfate 910.84
    ethyl butyrate 907.93
    methyl lactate 558.34
    butyl lactate 721.14
    diethyl carbonate 656.64
    propanediol butyl ether 884.11
    triethyl orthoformate 582.97
    p-tert-butyltoluene 508.92
    methyl 4-tert-butylbenzoate 917.82
    morpholine 2556.93
    tert-butylamine 1228.04
    n-dodecanol 464.57
    dimethoxymethane 1785.68
    ethylene carbonate 1494.4
    cyrene 687.85
    2-ethoxyethyl acetate 991.04
    2-ethylhexyl acetate 946.07
    1,2,4-trichlorobenzene 1944.88
    4-methylpyridine 2627.58
    dibutyl ether 1045.17
    2,6-dimethyl-4-heptanol 438.73
    DEF 1564.8
    dimethyl isosorbide 1179.0
    tetrachloroethylene 2982.82
    eugenol 865.14
    triacetin 957.21
    span 80 829.83
    1,4-butanediol 691.07
    1,1-dichloroethane 3224.26
    2-methyl-1-pentanol 1199.84
    methyl formate 1237.96
    2-methyl-1-butanol 1417.17
    n-decane 319.71
    butyronitrile 1972.15
    3,7-dimethyl-1-octanol 791.51
    1-chlorooctane 904.7
    1-chlorotetradecane 394.44
    n-nonane 340.87
    undecane 245.07
    tert-butylcyclohexane 364.83
    cyclooctane 310.19
    cyclopentanol 1770.39
    tetrahydropyran 2697.43
    tert-amyl methyl ether 1022.04
    2,5,8-trioxanonane 1126.53
    1-hexene 1475.43
    2-isopropoxyethanol 808.81
    2,2,2-trifluoroethanol 419.82
    methyl butyrate 1270.45

    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