2-Butyl-5-methyl-4-propyloxazole

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  • Identifiers

    CAS number
    94794-09-9

    Molecular formula
    C11H19NO

    SMILES
    CCCCC1=NC(=C(O1)C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Green 62.93%
    Roasted 45.79%
    Earthy 44.14%
    Vegetable 42.92%
    Fatty 41.1%
    Nutty 41.09%
    Fruity 38.72%
    Burnt 35.95%
    Herbal 35.23%
    Meaty 29.99%

     

    Flavor
    Green 65.0%
    Earthy 49.94%
    Roasted 43.71%
    Pepper 39.18%
    Vegetable 38.54%
    Burnt 36.94%
    Nutty 35.02%
    Herbal 34.82%
    Fatty 31.22%
    Meaty 30.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.79 (neutral)

    Molecular weight
    181.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    230°C

    Flash point

    • 95.97 ˚C est.

  • Synonyms

    • 2-Butyl-5-methyl-4-propyloxazole
    • 2-butyl-5-methyl-4-propyl-1,3-oxazole
    • 2-butyl-4-propyl-5-methyloxazole
    • CHEBI:195873
    • JIJACJIEHHDTAK-UHFFFAOYSA-N
    • DTXSID301301694
    • 94794-09-9
    • 94794-09-9

  • Applications

    2-Butyl-5-methyl-4-propyloxazole (CAS 94794-09-9) is a hydrophobic heteroaromatic compound typically evaluated as a synthetic intermediate in organic synthesis and materials development. It may be used in perfumery and cosmetics as a fragrance ingredient or odorant; in household and cleaning products as a fragrance component or odor modifier; in industrial manufacturing as a building block for heteroaromatic formulations; and in polymer/plastics applications as a precursor or additive for specialty polymers; and in coatings/inks formulations as an additive or functional component, all subject to formulation constraints and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4335.02
    methanol 5020.95
    isopropanol 3955.43
    water 1.1
    ethyl acetate 2944.65
    n-propanol 3936.13
    acetone 3929.7
    n-butanol 4215.18
    acetonitrile 2357.53
    DMF 5271.73
    toluene 2538.09
    isobutanol 3825.04
    1,4-dioxane 4599.6
    methyl acetate 2239.59
    THF 6429.63
    2-butanone 3223.87
    n-pentanol 3080.0
    sec-butanol 3882.38
    n-hexane 1314.94
    ethylene glycol 499.71
    NMP 3440.41
    cyclohexane 1814.7
    DMSO 3011.43
    n-butyl acetate 3589.12
    n-octanol 1554.42
    chloroform 11097.49
    n-propyl acetate 2073.09
    acetic acid 2576.55
    dichloromethane 8987.52
    cyclohexanone 5570.36
    propylene glycol 902.74
    isopropyl acetate 2254.96
    DMAc 3451.41
    2-ethoxyethanol 2285.72
    isopentanol 3891.21
    n-heptane 517.47
    ethyl formate 2241.71
    1,2-dichloroethane 5169.89
    n-hexanol 3604.18
    2-methoxyethanol 3479.03
    isobutyl acetate 1684.76
    tetrachloromethane 1908.23
    n-pentyl acetate 1847.61
    transcutol 3978.72
    n-heptanol 1334.13
    ethylbenzene 1394.26
    MIBK 2046.07
    2-propoxyethanol 3289.15
    tert-butanol 3598.83
    MTBE 4115.78
    2-butoxyethanol 1694.99
    propionic acid 1962.8
    o-xylene 1225.43
    formic acid 634.18
    diethyl ether 3847.52
    m-xylene 1383.22
    p-xylene 1846.69
    chlorobenzene 3255.58
    dimethyl carbonate 833.03
    n-octane 270.37
    formamide 760.47
    cyclopentanone 4680.23
    2-pentanone 2999.19
    anisole 1806.62
    cyclopentyl methyl ether 3205.66
    gamma-butyrolactone 4188.77
    1-methoxy-2-propanol 2689.09
    pyridine 5111.12
    3-pentanone 2114.09
    furfural 3328.88
    n-dodecane 208.12
    diethylene glycol 1512.0
    diisopropyl ether 1221.34
    tert-amyl alcohol 3434.85
    acetylacetone 2594.27
    n-hexadecane 238.45
    acetophenone 1542.08
    methyl propionate 2026.67
    isopentyl acetate 3156.82
    trichloroethylene 8369.23
    n-nonanol 1272.24
    cyclohexanol 3848.25
    benzyl alcohol 1789.58
    2-ethylhexanol 1849.87
    isooctanol 1096.61
    dipropyl ether 1815.12
    1,2-dichlorobenzene 2374.4
    ethyl lactate 664.28
    propylene carbonate 2644.3
    n-methylformamide 1960.02
    2-pentanol 2883.87
    n-pentane 929.81
    1-propoxy-2-propanol 2222.83
    1-methoxy-2-propyl acetate 1923.27
    2-(2-methoxypropoxy) propanol 1166.91
    mesitylene 825.29
    ε-caprolactone 4094.4
    p-cymene 685.09
    epichlorohydrin 4895.15
    1,1,1-trichloroethane 4851.76
    2-aminoethanol 1266.53
    morpholine-4-carbaldehyde 3133.98
    sulfolane 3552.36
    2,2,4-trimethylpentane 417.33
    2-methyltetrahydrofuran 5132.67
    n-hexyl acetate 2488.55
    isooctane 323.56
    2-(2-butoxyethoxy)ethanol 1644.59
    sec-butyl acetate 1514.0
    tert-butyl acetate 1967.68
    decalin 643.97
    glycerin 881.04
    diglyme 2763.71
    acrylic acid 1450.27
    isopropyl myristate 857.48
    n-butyric acid 3946.52
    acetyl acetate 1638.98
    di(2-ethylhexyl) phthalate 758.09
    ethyl propionate 1559.46
    nitromethane 2560.07
    1,2-diethoxyethane 2428.69
    benzonitrile 2611.25
    trioctyl phosphate 575.41
    1-bromopropane 4404.5
    gamma-valerolactone 5043.58
    n-decanol 863.15
    triethyl phosphate 591.9
    4-methyl-2-pentanol 1505.52
    propionitrile 2859.69
    vinylene carbonate 2426.74
    1,1,2-trichlorotrifluoroethane 2580.23
    DMS 1376.1
    cumene 856.53
    2-octanol 1152.23
    2-hexanone 2365.66
    octyl acetate 1109.65
    limonene 1180.91
    1,2-dimethoxyethane 4777.27
    ethyl orthosilicate 659.2
    tributyl phosphate 759.94
    diacetone alcohol 1619.26
    N,N-dimethylaniline 1322.19
    acrylonitrile 2649.2
    aniline 2396.06
    1,3-propanediol 2125.62
    bromobenzene 3813.8
    dibromomethane 6554.35
    1,1,2,2-tetrachloroethane 6973.24
    2-methyl-cyclohexyl acetate 1180.34
    tetrabutyl urea 943.64
    diisobutyl methanol 856.34
    2-phenylethanol 1793.7
    styrene 1897.54
    dioctyl adipate 1047.05
    dimethyl sulfate 1013.68
    ethyl butyrate 1726.84
    methyl lactate 775.34
    butyl lactate 1154.05
    diethyl carbonate 1038.48
    propanediol butyl ether 1417.19
    triethyl orthoformate 1083.75
    p-tert-butyltoluene 648.33
    methyl 4-tert-butylbenzoate 1162.56
    morpholine 5676.64
    tert-butylamine 2758.5
    n-dodecanol 638.22
    dimethoxymethane 2892.58
    ethylene carbonate 2286.03
    cyrene 934.52
    2-ethoxyethyl acetate 1719.35
    2-ethylhexyl acetate 2334.74
    1,2,4-trichlorobenzene 2435.53
    4-methylpyridine 5503.6
    dibutyl ether 1957.76
    2,6-dimethyl-4-heptanol 856.34
    DEF 3403.71
    dimethyl isosorbide 1692.77
    tetrachloroethylene 4722.1
    eugenol 1197.02
    triacetin 1226.41
    span 80 1284.03
    1,4-butanediol 1095.45
    1,1-dichloroethane 5813.8
    2-methyl-1-pentanol 3010.5
    methyl formate 1591.92
    2-methyl-1-butanol 3760.8
    n-decane 362.12
    butyronitrile 4203.81
    3,7-dimethyl-1-octanol 1376.1
    1-chlorooctane 1200.35
    1-chlorotetradecane 452.18
    n-nonane 387.56
    undecane 260.86
    tert-butylcyclohexane 542.16
    cyclooctane 487.01
    cyclopentanol 3241.56
    tetrahydropyran 6401.78
    tert-amyl methyl ether 2549.76
    2,5,8-trioxanonane 1725.66
    1-hexene 3388.1
    2-isopropoxyethanol 1660.03
    2,2,2-trifluoroethanol 609.18
    methyl butyrate 2626.77

    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