5-Butyl-4-methyl-2-propyloxazole

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  • Identifiers

    CAS number
    84028-11-5

    Molecular formula
    C11H19NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 61.36%
    Roasted 47.39%
    Earthy 46.17%
    Nutty 44.46%
    Vegetable 43.84%
    Fruity 42.9%
    Fatty 42.83%
    Burnt 37.18%
    Herbal 36.74%
    Musty 31.57%

     

    Flavor
    Green 57.9%
    Earthy 49.47%
    Roasted 46.61%
    Burnt 39.98%
    Vegetable 37.61%
    Pepper 35.62%
    Nutty 35.44%
    Meaty 29.65%
    Fatty 29.33%
    Herbal 28.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.67 (neutral)

    Molecular weight
    181.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 96.09 ˚C est.

  • Synonyms

    • 5-Butyl-4-methyl-2-propyloxazole
    • 84028-11-5
    • RefChem:302128
    • 5-butyl-4-methyl-2-propyl-1,3-oxazole
    • CHEBI:195875
    • DTXSID301301632
    • 84028-11-5

  • Applications

    5-Butyl-4-methyl-2-propyloxazole (CAS 84028-11-5) is a specialty chemical with multiple practical applications in chemical and consumer industries. It can be used as a fragrance ingredient in perfumery and cosmetics; is considered an organic synthesis intermediate for specialty chemicals; can serve as an additive or precursor for polymer and plastics systems; and may be used in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6141.79
    methanol 6688.8
    isopropanol 5199.79
    water 1.76
    ethyl acetate 4250.72
    n-propanol 5128.25
    acetone 5350.8
    n-butanol 5320.34
    acetonitrile 3809.13
    DMF 6443.84
    toluene 3586.12
    isobutanol 4842.72
    1,4-dioxane 5766.12
    methyl acetate 3188.86
    THF 8334.98
    2-butanone 4369.0
    n-pentanol 3915.41
    sec-butanol 5180.25
    n-hexane 1753.85
    ethylene glycol 546.13
    NMP 4521.0
    cyclohexane 2565.74
    DMSO 3983.6
    n-butyl acetate 5043.46
    n-octanol 2234.37
    chloroform 17235.63
    n-propyl acetate 3030.73
    acetic acid 3679.13
    dichloromethane 15344.55
    cyclohexanone 7869.3
    propylene glycol 1040.15
    isopropyl acetate 2992.65
    DMAc 4040.17
    2-ethoxyethanol 2798.39
    isopentanol 4705.37
    n-heptane 784.61
    ethyl formate 3320.53
    1,2-dichloroethane 7334.81
    n-hexanol 4399.4
    2-methoxyethanol 4193.8
    isobutyl acetate 2201.02
    tetrachloromethane 2853.38
    n-pentyl acetate 2647.3
    transcutol 5244.44
    n-heptanol 1785.8
    ethylbenzene 2009.36
    MIBK 2476.32
    2-propoxyethanol 3765.73
    tert-butanol 4416.27
    MTBE 4685.78
    2-butoxyethanol 2130.76
    propionic acid 2743.67
    o-xylene 1674.38
    formic acid 862.37
    diethyl ether 4736.46
    m-xylene 1880.29
    p-xylene 2763.45
    chlorobenzene 4844.27
    dimethyl carbonate 1120.31
    n-octane 401.02
    formamide 1113.75
    cyclopentanone 6532.1
    2-pentanone 4119.91
    anisole 2490.14
    cyclopentyl methyl ether 3960.38
    gamma-butyrolactone 5940.59
    1-methoxy-2-propanol 3167.92
    pyridine 7560.32
    3-pentanone 2808.36
    furfural 4792.89
    n-dodecane 299.01
    diethylene glycol 1596.18
    diisopropyl ether 1439.42
    tert-amyl alcohol 4162.24
    acetylacetone 3482.86
    n-hexadecane 341.23
    acetophenone 2200.78
    methyl propionate 2724.59
    isopentyl acetate 4211.06
    trichloroethylene 12401.07
    n-nonanol 1786.37
    cyclohexanol 5037.07
    benzyl alcohol 2361.86
    2-ethylhexanol 2380.76
    isooctanol 1408.83
    dipropyl ether 2443.06
    1,2-dichlorobenzene 3369.18
    ethyl lactate 849.42
    propylene carbonate 3888.0
    n-methylformamide 2865.13
    2-pentanol 3621.44
    n-pentane 1290.27
    1-propoxy-2-propanol 2768.53
    1-methoxy-2-propyl acetate 2477.35
    2-(2-methoxypropoxy) propanol 1405.34
    mesitylene 1095.15
    ε-caprolactone 5750.81
    p-cymene 987.97
    epichlorohydrin 6747.48
    1,1,1-trichloroethane 7045.33
    2-aminoethanol 1516.45
    morpholine-4-carbaldehyde 3839.92
    sulfolane 4784.31
    2,2,4-trimethylpentane 526.94
    2-methyltetrahydrofuran 6655.37
    n-hexyl acetate 3641.89
    isooctane 397.85
    2-(2-butoxyethoxy)ethanol 2049.26
    sec-butyl acetate 2010.43
    tert-butyl acetate 2441.25
    decalin 818.0
    glycerin 948.38
    diglyme 3531.23
    acrylic acid 1949.51
    isopropyl myristate 1184.05
    n-butyric acid 5667.5
    acetyl acetate 2333.4
    di(2-ethylhexyl) phthalate 988.23
    ethyl propionate 2259.63
    nitromethane 3891.05
    1,2-diethoxyethane 3244.43
    benzonitrile 4133.3
    trioctyl phosphate 777.24
    1-bromopropane 6466.14
    gamma-valerolactone 6682.22
    n-decanol 1182.0
    triethyl phosphate 796.94
    4-methyl-2-pentanol 1741.85
    propionitrile 4313.63
    vinylene carbonate 3599.43
    1,1,2-trichlorotrifluoroethane 3444.65
    DMS 1852.41
    cumene 1183.16
    2-octanol 1568.85
    2-hexanone 3164.02
    octyl acetate 1570.82
    limonene 1641.53
    1,2-dimethoxyethane 5755.09
    ethyl orthosilicate 869.58
    tributyl phosphate 1039.77
    diacetone alcohol 1902.26
    N,N-dimethylaniline 1717.88
    acrylonitrile 4183.09
    aniline 3291.78
    1,3-propanediol 2526.66
    bromobenzene 5758.73
    dibromomethane 10776.77
    1,1,2,2-tetrachloroethane 9887.21
    2-methyl-cyclohexyl acetate 1661.78
    tetrabutyl urea 1273.46
    diisobutyl methanol 1070.6
    2-phenylethanol 2361.72
    styrene 2747.26
    dioctyl adipate 1496.27
    dimethyl sulfate 1299.0
    ethyl butyrate 2665.9
    methyl lactate 943.53
    butyl lactate 1574.07
    diethyl carbonate 1610.93
    propanediol butyl ether 1842.28
    triethyl orthoformate 1542.13
    p-tert-butyltoluene 915.84
    methyl 4-tert-butylbenzoate 1510.08
    morpholine 7100.46
    tert-butylamine 3496.11
    n-dodecanol 872.08
    dimethoxymethane 3575.31
    ethylene carbonate 3407.66
    cyrene 1123.48
    2-ethoxyethyl acetate 2322.9
    2-ethylhexyl acetate 3149.9
    1,2,4-trichlorobenzene 3461.71
    4-methylpyridine 7961.79
    dibutyl ether 2838.13
    2,6-dimethyl-4-heptanol 1070.6
    DEF 4422.94
    dimethyl isosorbide 2177.12
    tetrachloroethylene 6705.12
    eugenol 1547.2
    triacetin 1713.68
    span 80 1664.63
    1,4-butanediol 1288.06
    1,1-dichloroethane 8342.13
    2-methyl-1-pentanol 3697.84
    methyl formate 2307.4
    2-methyl-1-butanol 4648.55
    n-decane 527.84
    butyronitrile 6252.93
    3,7-dimethyl-1-octanol 1841.36
    1-chlorooctane 1752.13
    1-chlorotetradecane 635.83
    n-nonane 587.59
    undecane 371.8
    tert-butylcyclohexane 682.0
    cyclooctane 643.97
    cyclopentanol 4376.14
    tetrahydropyran 8308.53
    tert-amyl methyl ether 2963.27
    2,5,8-trioxanonane 2160.72
    1-hexene 4601.01
    2-isopropoxyethanol 1986.68
    2,2,2-trifluoroethanol 820.03
    methyl butyrate 3793.12

    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