2,4-Diethyl-5-propyloxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    77311-03-6

    Molecular formula
    C10H17NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 81.28%
    Earthy 53.38%
    Vegetable 50.96%
    Nutty 49.69%
    Roasted 45.96%
    Fruity 45.02%
    Burnt 34.7%
    Musty 34.56%
    Fatty 29.35%
    Herbal 28.16%

     

    Flavor
    Green 76.2%
    Earthy 52.07%
    Vegetable 44.3%
    Fruity 43.09%
    Nutty 42.94%
    Roasted 37.39%
    Pepper 36.77%
    Raw 32.28%
    Burnt 31.59%
    Fatty 30.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.56 (neutral)

    Molecular weight
    167.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 80.23 ˚C est.

  • Synonyms

    • 2,4-Diethyl-5-propyloxazole
    • 77311-03-6
    • RefChem:82408
    • 2,4-diethyl-5-propyl-1,3-oxazole
    • SCHEMBL30233743
    • CHEBI:195844
    • DTXSID201310349
    • 77311-03-6

  • Applications

    2,4-Diethyl-5-propyloxazole is primarily used as an intermediate in organic synthesis for specialty chemicals in industrial manufacturing; it can serve as a building block for more complex molecules in polymer and materials science, and may act as a reactive intermediate in coatings, inks, and related formulations. The oxazole ring may be evaluated for fragrance research as an odor-active component, and its use is typically limited to formulation development and scale-up, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4799.91
    methanol 5400.79
    isopropanol 3975.68
    water 4.07
    ethyl acetate 4151.82
    n-propanol 4361.06
    acetone 5530.25
    n-butanol 4314.04
    acetonitrile 4520.97
    DMF 7374.13
    toluene 3965.94
    isobutanol 3888.17
    1,4-dioxane 5686.09
    methyl acetate 3729.65
    THF 8609.36
    2-butanone 4619.38
    n-pentanol 3656.93
    sec-butanol 4192.55
    n-hexane 1811.66
    ethylene glycol 704.63
    NMP 5321.21
    cyclohexane 2272.43
    DMSO 4709.38
    n-butyl acetate 4831.15
    n-octanol 2553.21
    chloroform 20957.78
    n-propyl acetate 3354.27
    acetic acid 3414.36
    dichloromethane 20182.34
    cyclohexanone 7346.67
    propylene glycol 1069.5
    isopropyl acetate 2730.61
    DMAc 4632.67
    2-ethoxyethanol 2986.53
    isopentanol 3734.32
    n-heptane 977.36
    ethyl formate 3641.23
    1,2-dichloroethane 9457.23
    n-hexanol 3639.33
    2-methoxyethanol 4177.84
    isobutyl acetate 2257.77
    tetrachloromethane 3863.58
    n-pentyl acetate 3129.17
    transcutol 4395.55
    n-heptanol 1905.87
    ethylbenzene 2616.91
    MIBK 2512.84
    2-propoxyethanol 3493.22
    tert-butanol 3520.43
    MTBE 3810.35
    2-butoxyethanol 2222.29
    propionic acid 2963.66
    o-xylene 2094.2
    formic acid 926.24
    diethyl ether 4229.03
    m-xylene 2236.09
    p-xylene 3569.79
    chlorobenzene 6169.48
    dimethyl carbonate 1666.45
    n-octane 564.61
    formamide 1340.45
    cyclopentanone 7281.94
    2-pentanone 4082.62
    anisole 3273.54
    cyclopentyl methyl ether 4215.37
    gamma-butyrolactone 7269.04
    1-methoxy-2-propanol 3018.33
    pyridine 8492.43
    3-pentanone 2994.62
    furfural 6411.14
    n-dodecane 451.83
    diethylene glycol 1686.53
    diisopropyl ether 1412.15
    tert-amyl alcohol 3517.54
    acetylacetone 3855.04
    n-hexadecane 516.96
    acetophenone 2970.44
    methyl propionate 3211.87
    isopentyl acetate 3714.56
    trichloroethylene 17043.01
    n-nonanol 2022.4
    cyclohexanol 4215.87
    benzyl alcohol 2810.81
    2-ethylhexanol 2318.79
    isooctanol 1479.17
    dipropyl ether 2702.99
    1,2-dichlorobenzene 4757.13
    ethyl lactate 1158.7
    propylene carbonate 4657.13
    n-methylformamide 3596.94
    2-pentanol 3025.23
    n-pentane 1327.32
    1-propoxy-2-propanol 2541.61
    1-methoxy-2-propyl acetate 2486.21
    2-(2-methoxypropoxy) propanol 1607.6
    mesitylene 1416.98
    ε-caprolactone 5676.45
    p-cymene 1346.71
    epichlorohydrin 8546.11
    1,1,1-trichloroethane 8287.82
    2-aminoethanol 1615.48
    morpholine-4-carbaldehyde 4769.55
    sulfolane 6429.37
    2,2,4-trimethylpentane 601.17
    2-methyltetrahydrofuran 6218.94
    n-hexyl acetate 4289.82
    isooctane 459.04
    2-(2-butoxyethoxy)ethanol 2119.62
    sec-butyl acetate 2062.63
    tert-butyl acetate 2401.39
    decalin 982.77
    glycerin 1105.76
    diglyme 3923.75
    acrylic acid 2457.5
    isopropyl myristate 1535.27
    n-butyric acid 4657.0
    acetyl acetate 2757.77
    di(2-ethylhexyl) phthalate 1269.55
    ethyl propionate 2754.85
    nitromethane 4943.14
    1,2-diethoxyethane 3054.68
    benzonitrile 5170.65
    trioctyl phosphate 1030.68
    1-bromopropane 7214.53
    gamma-valerolactone 7369.35
    n-decanol 1414.13
    triethyl phosphate 1063.65
    4-methyl-2-pentanol 1510.7
    propionitrile 4518.79
    vinylene carbonate 4833.11
    1,1,2-trichlorotrifluoroethane 4330.53
    DMS 2560.51
    cumene 1607.45
    2-octanol 1787.31
    2-hexanone 3422.87
    octyl acetate 2046.63
    limonene 1956.63
    1,2-dimethoxyethane 5586.94
    ethyl orthosilicate 1034.05
    tributyl phosphate 1336.43
    diacetone alcohol 1944.06
    N,N-dimethylaniline 2301.27
    acrylonitrile 5226.72
    aniline 3586.96
    1,3-propanediol 2314.91
    bromobenzene 7760.22
    dibromomethane 13754.83
    1,1,2,2-tetrachloroethane 12167.32
    2-methyl-cyclohexyl acetate 2019.94
    tetrabutyl urea 1682.48
    diisobutyl methanol 1060.68
    2-phenylethanol 2631.12
    styrene 3599.27
    dioctyl adipate 1972.0
    dimethyl sulfate 2092.53
    ethyl butyrate 2927.48
    methyl lactate 1246.51
    butyl lactate 1883.15
    diethyl carbonate 1954.98
    propanediol butyl ether 2091.19
    triethyl orthoformate 1638.9
    p-tert-butyltoluene 1238.57
    methyl 4-tert-butylbenzoate 2139.36
    morpholine 6389.9
    tert-butylamine 2970.61
    n-dodecanol 1076.33
    dimethoxymethane 4223.32
    ethylene carbonate 4091.84
    cyrene 1422.14
    2-ethoxyethyl acetate 2784.04
    2-ethylhexyl acetate 3083.12
    1,2,4-trichlorobenzene 5125.43
    4-methylpyridine 8468.25
    dibutyl ether 3172.94
    2,6-dimethyl-4-heptanol 1060.68
    DEF 4481.31
    dimethyl isosorbide 2551.67
    tetrachloroethylene 8772.29
    eugenol 2062.69
    triacetin 2384.01
    span 80 1869.17
    1,4-butanediol 1354.66
    1,1-dichloroethane 9823.43
    2-methyl-1-pentanol 3214.55
    methyl formate 3107.68
    2-methyl-1-butanol 3847.82
    n-decane 749.07
    butyronitrile 5961.53
    3,7-dimethyl-1-octanol 1953.68
    1-chlorooctane 2402.26
    1-chlorotetradecane 905.6
    n-nonane 815.64
    undecane 561.43
    tert-butylcyclohexane 827.02
    cyclooctane 732.83
    cyclopentanol 4253.32
    tetrahydropyran 7123.41
    tert-amyl methyl ether 2710.9
    2,5,8-trioxanonane 2404.8
    1-hexene 4334.71
    2-isopropoxyethanol 2012.96
    2,2,2-trifluoroethanol 948.81
    methyl butyrate 4228.85

    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