5-Butyl-2-ethyloxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    77311-04-7

    Molecular formula
    C9H15NO

    SMILES
    CCCCC1=CN=C(O1)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 79.67%
    Vegetable 50.46%
    Fatty 48.43%
    Nutty 47.5%
    Earthy 45.83%
    Roasted 45.16%
    Fruity 38.11%
    Meaty 33.28%
    Musty 32.51%
    Burnt 30.76%

     

    Flavor
    Green 74.61%
    Earthy 49.89%
    Fruity 46.9%
    Vegetable 44.64%
    Nutty 41.51%
    Fatty 41.31%
    Pepper 35.77%
    Roasted 35.37%
    Spicy 31.42%
    Mushroom 31.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.06 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 80.37 ˚C est.

  • Synonyms

    • 5-Butyl-2-ethyloxazole
    • 77311-04-7
    • RefChem:302115
    • 5-butyl-2-ethyl-1,3-oxazole
    • 2-ethyl-5-butyl oxazole
    • SCHEMBL5539286
    • CHEBI:190166
    • DTXSID601314129
    • 77311-04-7

  • Applications

    5-Butyl-2-ethyloxazole is primarily used as an organic intermediate and building block for the synthesis of heterocyclic compounds, enabling access to oxazole derivatives in pharmaceutical and agrochemical research. It is commonly evaluated for library generation and lead-structure exploration in drug discovery and may serve as a precursor to functional oxazole compounds. The material may also find application as an odorant or fragrance fragment in perfumery, and as a specialty building block in coatings, inks, or advanced polymers where the oxazole motif contributes to material properties. Use is typically governed by formulation needs and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3154.09
    methanol 4142.3
    isopropanol 2240.72
    water 1.65
    ethyl acetate 1775.79
    n-propanol 2316.13
    acetone 2690.93
    n-butanol 2299.62
    acetonitrile 1611.91
    DMF 3742.23
    toluene 1231.0
    isobutanol 2066.12
    1,4-dioxane 2433.4
    methyl acetate 1444.04
    THF 3489.52
    2-butanone 1965.73
    n-pentanol 1806.39
    sec-butanol 2018.39
    n-hexane 480.89
    ethylene glycol 485.93
    NMP 2423.67
    cyclohexane 618.53
    DMSO 2666.56
    n-butyl acetate 2211.18
    n-octanol 887.25
    chloroform 7010.02
    n-propyl acetate 1314.1
    acetic acid 2268.37
    dichloromethane 6280.95
    cyclohexanone 3091.13
    propylene glycol 689.42
    isopropyl acetate 1321.99
    DMAc 2478.47
    2-ethoxyethanol 1545.7
    isopentanol 2091.42
    n-heptane 224.54
    ethyl formate 1505.66
    1,2-dichloroethane 3157.56
    n-hexanol 1901.45
    2-methoxyethanol 2472.55
    isobutyl acetate 1031.61
    tetrachloromethane 1074.12
    n-pentyl acetate 1093.01
    transcutol 3176.51
    n-heptanol 743.16
    ethylbenzene 725.64
    MIBK 1205.28
    2-propoxyethanol 2033.59
    tert-butanol 2251.71
    MTBE 2199.2
    2-butoxyethanol 1091.52
    propionic acid 1422.73
    o-xylene 663.92
    formic acid 667.92
    diethyl ether 1878.66
    m-xylene 737.01
    p-xylene 1017.37
    chlorobenzene 1916.22
    dimethyl carbonate 592.82
    n-octane 121.32
    formamide 723.37
    cyclopentanone 2951.66
    2-pentanone 1760.24
    anisole 1149.04
    cyclopentyl methyl ether 1639.81
    gamma-butyrolactone 2803.82
    1-methoxy-2-propanol 1744.97
    pyridine 2920.88
    3-pentanone 1179.02
    furfural 2532.14
    n-dodecane 108.01
    diethylene glycol 1166.58
    diisopropyl ether 604.11
    tert-amyl alcohol 1923.03
    acetylacetone 1736.69
    n-hexadecane 121.9
    acetophenone 1053.22
    methyl propionate 1239.87
    isopentyl acetate 1906.12
    trichloroethylene 5695.44
    n-nonanol 720.6
    cyclohexanol 1851.5
    benzyl alcohol 1128.97
    2-ethylhexanol 1029.19
    isooctanol 617.95
    dipropyl ether 1022.58
    1,2-dichlorobenzene 1507.89
    ethyl lactate 478.47
    propylene carbonate 1840.5
    n-methylformamide 1427.66
    2-pentanol 1430.98
    n-pentane 349.99
    1-propoxy-2-propanol 1398.08
    1-methoxy-2-propyl acetate 1246.5
    2-(2-methoxypropoxy) propanol 856.85
    mesitylene 449.97
    ε-caprolactone 2358.78
    p-cymene 410.36
    epichlorohydrin 3052.43
    1,1,1-trichloroethane 2944.89
    2-aminoethanol 1002.33
    morpholine-4-carbaldehyde 2124.66
    sulfolane 2681.8
    2,2,4-trimethylpentane 211.8
    2-methyltetrahydrofuran 2714.25
    n-hexyl acetate 1457.53
    isooctane 158.4
    2-(2-butoxyethoxy)ethanol 1138.91
    sec-butyl acetate 950.72
    tert-butyl acetate 1260.36
    decalin 288.46
    glycerin 730.06
    diglyme 1903.45
    acrylic acid 1158.75
    isopropyl myristate 524.53
    n-butyric acid 2617.84
    acetyl acetate 1102.61
    di(2-ethylhexyl) phthalate 523.82
    ethyl propionate 1000.65
    nitromethane 2206.73
    1,2-diethoxyethane 1606.09
    benzonitrile 1774.52
    trioctyl phosphate 374.27
    1-bromopropane 2371.24
    gamma-valerolactone 3157.37
    n-decanol 509.13
    triethyl phosphate 412.48
    4-methyl-2-pentanol 806.55
    propionitrile 1773.68
    vinylene carbonate 1721.14
    1,1,2-trichlorotrifluoroethane 1902.57
    DMS 912.86
    cumene 480.81
    2-octanol 601.76
    2-hexanone 1453.34
    octyl acetate 689.89
    limonene 653.16
    1,2-dimethoxyethane 2853.71
    ethyl orthosilicate 445.96
    tributyl phosphate 502.94
    diacetone alcohol 1087.84
    N,N-dimethylaniline 823.94
    acrylonitrile 1935.11
    aniline 1406.73
    1,3-propanediol 1506.65
    bromobenzene 2173.04
    dibromomethane 4183.5
    1,1,2,2-tetrachloroethane 4412.61
    2-methyl-cyclohexyl acetate 760.72
    tetrabutyl urea 626.24
    diisobutyl methanol 495.72
    2-phenylethanol 1091.35
    styrene 1053.39
    dioctyl adipate 710.1
    dimethyl sulfate 800.34
    ethyl butyrate 1140.08
    methyl lactate 574.88
    butyl lactate 759.47
    diethyl carbonate 712.05
    propanediol butyl ether 1010.03
    triethyl orthoformate 707.97
    p-tert-butyltoluene 386.74
    methyl 4-tert-butylbenzoate 804.58
    morpholine 2937.59
    tert-butylamine 1698.45
    n-dodecanol 387.9
    dimethoxymethane 1810.28
    ethylene carbonate 1513.22
    cyrene 665.33
    2-ethoxyethyl acetate 1127.34
    2-ethylhexyl acetate 1371.84
    1,2,4-trichlorobenzene 1562.3
    4-methylpyridine 3124.21
    dibutyl ether 1059.24
    2,6-dimethyl-4-heptanol 495.72
    DEF 2081.83
    dimethyl isosorbide 1191.1
    tetrachloroethylene 2951.92
    eugenol 845.83
    triacetin 884.2
    span 80 881.77
    1,4-butanediol 753.5
    1,1-dichloroethane 3604.6
    2-methyl-1-pentanol 1680.35
    methyl formate 1206.02
    2-methyl-1-butanol 1980.76
    n-decane 176.5
    butyronitrile 2458.16
    3,7-dimethyl-1-octanol 805.72
    1-chlorooctane 650.98
    1-chlorotetradecane 260.02
    n-nonane 180.66
    undecane 132.91
    tert-butylcyclohexane 265.05
    cyclooctane 164.66
    cyclopentanol 1754.04
    tetrahydropyran 2952.42
    tert-amyl methyl ether 1371.18
    2,5,8-trioxanonane 1253.96
    1-hexene 1539.08
    2-isopropoxyethanol 1096.29
    2,2,2-trifluoroethanol 539.23
    methyl butyrate 1677.47

    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