5-Ethyl-4-methyl-2-pentyloxazole

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  • Identifiers

    CAS number
    84028-13-7

    Molecular formula
    C11H19NO

    SMILES
    CCCCCC1=NC(=C(O1)CC)C

    Safety labels

  • Odor profile

    Fragrance
    Green 71.79%
    Fatty 51.74%
    Vegetable 49.72%
    Earthy 47.92%
    Nutty 47.06%
    Roasted 46.81%
    Fruity 37.71%
    Meaty 34.57%
    Burnt 33.98%
    Herbal 33.34%

     

    Flavor
    Green 65.62%
    Earthy 50.3%
    Roasted 43.27%
    Vegetable 39.02%
    Pepper 38.4%
    Burnt 35.73%
    Nutty 35.58%
    Fatty 33.17%
    Herbal 31.73%
    Meaty 29.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.72 (neutral)

    Molecular weight
    181.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 95.14 ˚C est.

  • Synonyms

    • 5-Ethyl-4-methyl-2-pentyloxazole
    • 5-ethyl-4-methyl-2-pentyl-1,3-oxazole
    • DTXSID001301869
    • 84028-13-7
    • RefChem:1072886
    • DTXCID301731950
    • 2-pentyl-4-methyl-5-ethyloxazole
    • CHEBI:191911
    • CJVUTPBIHCDRQD-UHFFFAOYSA-N
    • 84028-13-7

  • Applications

    5-Ethyl-4-methyl-2-pentyloxazole (CAS 84028-13-7) is primarily used as an intermediate and building block for specialized organic synthesis, particularly in the pharmaceutical and industrial chemical sectors, where it can serve as a precursor or monomer for complex oxazole-containing compounds. It is also considered a potential fragrance/odorant ingredient for perfumery and cosmetics in creative formulations. Additionally, it may be employed as a precursor for coatings, inks, and adhesives systems based on oxazole-containing motifs, and can act as a starting point for specialty polymers. Actual applications depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8879.99
    methanol 11334.96
    isopropanol 6164.77
    water 2.33
    ethyl acetate 7795.88
    n-propanol 7024.64
    acetone 8706.98
    n-butanol 6933.69
    acetonitrile 6671.98
    DMF 9512.65
    toluene 4376.6
    isobutanol 6356.56
    1,4-dioxane 9358.39
    methyl acetate 5407.04
    THF 11630.97
    2-butanone 6891.76
    n-pentanol 4803.93
    sec-butanol 5867.63
    n-hexane 1891.35
    ethylene glycol 781.8
    NMP 6531.22
    cyclohexane 2723.18
    DMSO 5976.3
    n-butyl acetate 8102.39
    n-octanol 2180.71
    chloroform 19891.62
    n-propyl acetate 4693.94
    acetic acid 5761.03
    dichloromethane 20636.25
    cyclohexanone 10647.99
    propylene glycol 1231.59
    isopropyl acetate 5629.64
    DMAc 6140.1
    2-ethoxyethanol 4620.81
    isopentanol 6819.28
    n-heptane 741.82
    ethyl formate 4807.93
    1,2-dichloroethane 11070.84
    n-hexanol 5178.23
    2-methoxyethanol 7128.08
    isobutyl acetate 3415.11
    tetrachloromethane 3460.78
    n-pentyl acetate 3822.78
    transcutol 9756.6
    n-heptanol 1982.55
    ethylbenzene 2173.0
    MIBK 4318.88
    2-propoxyethanol 6224.05
    tert-butanol 6104.7
    MTBE 8826.52
    2-butoxyethanol 2888.8
    propionic acid 3732.42
    o-xylene 2009.8
    formic acid 1627.3
    diethyl ether 9546.38
    m-xylene 2402.7
    p-xylene 3054.39
    chlorobenzene 6067.88
    dimethyl carbonate 1855.81
    n-octane 384.08
    formamide 2047.98
    cyclopentanone 8352.01
    2-pentanone 6664.14
    anisole 3469.96
    cyclopentyl methyl ether 6369.31
    gamma-butyrolactone 8483.97
    1-methoxy-2-propanol 4901.8
    pyridine 9183.22
    3-pentanone 4449.66
    furfural 6169.99
    n-dodecane 272.47
    diethylene glycol 2700.42
    diisopropyl ether 2606.5
    tert-amyl alcohol 5579.09
    acetylacetone 5714.19
    n-hexadecane 317.38
    acetophenone 2882.1
    methyl propionate 4654.08
    isopentyl acetate 7080.41
    trichloroethylene 17480.07
    n-nonanol 1827.99
    cyclohexanol 5941.86
    benzyl alcohol 2821.53
    2-ethylhexanol 2963.07
    isooctanol 1617.91
    dipropyl ether 3683.1
    1,2-dichlorobenzene 4448.7
    ethyl lactate 1159.39
    propylene carbonate 5249.16
    n-methylformamide 4058.82
    2-pentanol 4655.15
    n-pentane 1410.02
    1-propoxy-2-propanol 4091.9
    1-methoxy-2-propyl acetate 4380.68
    2-(2-methoxypropoxy) propanol 1949.31
    mesitylene 1404.84
    ε-caprolactone 8110.94
    p-cymene 1102.87
    epichlorohydrin 10747.62
    1,1,1-trichloroethane 9282.68
    2-aminoethanol 2066.48
    morpholine-4-carbaldehyde 6337.51
    sulfolane 6768.66
    2,2,4-trimethylpentane 674.93
    2-methyltetrahydrofuran 10005.91
    n-hexyl acetate 4772.04
    isooctane 519.64
    2-(2-butoxyethoxy)ethanol 2778.5
    sec-butyl acetate 3424.42
    tert-butyl acetate 4639.69
    decalin 919.83
    glycerin 1251.56
    diglyme 5222.41
    acrylic acid 2674.5
    isopropyl myristate 1461.29
    n-butyric acid 8024.29
    acetyl acetate 4025.05
    di(2-ethylhexyl) phthalate 1229.84
    ethyl propionate 3577.45
    nitromethane 7010.39
    1,2-diethoxyethane 6343.16
    benzonitrile 4642.29
    trioctyl phosphate 904.35
    1-bromopropane 8641.09
    gamma-valerolactone 9821.2
    n-decanol 1217.2
    triethyl phosphate 1105.69
    4-methyl-2-pentanol 2593.38
    propionitrile 6449.19
    vinylene carbonate 4599.12
    1,1,2-trichlorotrifluoroethane 4802.13
    DMS 2834.66
    cumene 1340.44
    2-octanol 1682.98
    2-hexanone 4640.14
    octyl acetate 1896.28
    limonene 1959.1
    1,2-dimethoxyethane 9506.13
    ethyl orthosilicate 1271.46
    tributyl phosphate 1345.99
    diacetone alcohol 3188.66
    N,N-dimethylaniline 2223.91
    acrylonitrile 5825.15
    aniline 4237.48
    1,3-propanediol 3634.86
    bromobenzene 7250.09
    dibromomethane 13663.57
    1,1,2,2-tetrachloroethane 13126.01
    2-methyl-cyclohexyl acetate 2280.15
    tetrabutyl urea 1565.11
    diisobutyl methanol 1345.68
    2-phenylethanol 2975.63
    styrene 3077.21
    dioctyl adipate 1725.49
    dimethyl sulfate 2076.8
    ethyl butyrate 3898.02
    methyl lactate 1376.24
    butyl lactate 1991.86
    diethyl carbonate 2173.85
    propanediol butyl ether 2102.33
    triethyl orthoformate 2193.91
    p-tert-butyltoluene 1031.48
    methyl 4-tert-butylbenzoate 1959.03
    morpholine 10705.74
    tert-butylamine 4757.57
    n-dodecanol 875.62
    dimethoxymethane 6226.56
    ethylene carbonate 4467.47
    cyrene 1440.53
    2-ethoxyethyl acetate 3983.03
    2-ethylhexyl acetate 5230.82
    1,2,4-trichlorobenzene 4252.86
    4-methylpyridine 10230.95
    dibutyl ether 3725.03
    2,6-dimethyl-4-heptanol 1345.68
    DEF 7543.22
    dimethyl isosorbide 3172.34
    tetrachloroethylene 9139.87
    eugenol 1971.34
    triacetin 2370.51
    span 80 1940.85
    1,4-butanediol 1642.12
    1,1-dichloroethane 11404.11
    2-methyl-1-pentanol 4803.3
    methyl formate 3327.44
    2-methyl-1-butanol 6372.45
    n-decane 481.34
    butyronitrile 9221.2
    3,7-dimethyl-1-octanol 2169.0
    1-chlorooctane 1915.42
    1-chlorotetradecane 642.36
    n-nonane 506.71
    undecane 343.09
    tert-butylcyclohexane 829.34
    cyclooctane 694.09
    cyclopentanol 5036.87
    tetrahydropyran 11769.22
    tert-amyl methyl ether 5082.92
    2,5,8-trioxanonane 2931.58
    1-hexene 5244.7
    2-isopropoxyethanol 3190.66
    2,2,2-trifluoroethanol 1425.6
    methyl butyrate 5757.26

    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