4-Ethyl-5-methyl-2-pentyloxazole

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  • Identifiers

    CAS number
    84028-14-8

    Molecular formula
    C11H19NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 72.64%
    Vegetable 50.09%
    Fatty 49.04%
    Roasted 48.43%
    Earthy 47.49%
    Nutty 45.47%
    Fruity 36.88%
    Meaty 36.61%
    Burnt 35.08%
    Herbal 31.65%

     

    Flavor
    Green 65.14%
    Earthy 50.22%
    Roasted 43.24%
    Pepper 39.1%
    Vegetable 38.89%
    Burnt 35.71%
    Nutty 35.06%
    Fatty 34.82%
    Herbal 34.11%
    Meaty 30.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.71 (neutral)

    Molecular weight
    181.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 93.64 ˚C est.

  • Synonyms

    • 4-ethyl-5-methyl-2-pentyloxazole
    • 84028-14-8
    • RefChem:292609
    • 4-Ethyl-5-methyl-2-pentyloxazol
    • 4-ethyl-5-methyl-2-pentyl-1,3-oxazole
    • CHEBI:195874
    • DTXSID201302063
    • 84028-14-8

  • Applications

    4-Ethyl-5-methyl-2-pentyloxazole (CAS 84028-14-8) is an oxazole derivative that is regarded as a building block or intermediate for various organic syntheses in multiple industries. Practical applications may include: use as a fragrance ingredient or fragrance intermediate in perfumery and personal care; serving as an intermediate or building block in the synthesis of pharmaceuticals and agrochemicals; acting as a precursor for the preparation of heterocyclic derivatives to develop polymer and plastic materials; functioning as an intermediate for coatings, inks, and related additives to improve coating properties; and being evaluated for research and development of specialty chemicals, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8844.53
    methanol 11019.03
    isopropanol 6494.83
    water 1.82
    ethyl acetate 7052.81
    n-propanol 7174.6
    acetone 8482.2
    n-butanol 7088.14
    acetonitrile 6142.58
    DMF 8948.22
    toluene 4062.9
    isobutanol 6414.21
    1,4-dioxane 9175.15
    methyl acetate 4888.29
    THF 11769.11
    2-butanone 6387.51
    n-pentanol 4646.98
    sec-butanol 6037.56
    n-hexane 1984.68
    ethylene glycol 792.31
    NMP 6261.84
    cyclohexane 2932.25
    DMSO 5884.78
    n-butyl acetate 7065.2
    n-octanol 2127.66
    chloroform 17953.46
    n-propyl acetate 3999.11
    acetic acid 5526.61
    dichloromethane 18035.81
    cyclohexanone 10260.13
    propylene glycol 1315.68
    isopropyl acetate 5084.11
    DMAc 5441.87
    2-ethoxyethanol 4098.12
    isopentanol 6760.16
    n-heptane 753.67
    ethyl formate 4247.14
    1,2-dichloroethane 9883.24
    n-hexanol 5336.4
    2-methoxyethanol 6685.21
    isobutyl acetate 2943.23
    tetrachloromethane 3064.54
    n-pentyl acetate 3347.42
    transcutol 8667.45
    n-heptanol 1877.86
    ethylbenzene 1902.42
    MIBK 4005.61
    2-propoxyethanol 5870.92
    tert-butanol 6191.95
    MTBE 8571.6
    2-butoxyethanol 2620.57
    propionic acid 3649.09
    o-xylene 1799.18
    formic acid 1470.94
    diethyl ether 9289.02
    m-xylene 2163.49
    p-xylene 2595.4
    chlorobenzene 5467.07
    dimethyl carbonate 1673.15
    n-octane 364.37
    formamide 1807.19
    cyclopentanone 8088.4
    2-pentanone 6386.56
    anisole 2899.06
    cyclopentyl methyl ether 6410.72
    gamma-butyrolactone 8030.17
    1-methoxy-2-propanol 4730.82
    pyridine 8382.28
    3-pentanone 4193.55
    furfural 5493.52
    n-dodecane 261.63
    diethylene glycol 2526.8
    diisopropyl ether 2504.42
    tert-amyl alcohol 5538.33
    acetylacetone 5141.57
    n-hexadecane 307.02
    acetophenone 2359.1
    methyl propionate 4273.16
    isopentyl acetate 6169.96
    trichloroethylene 15545.0
    n-nonanol 1750.04
    cyclohexanol 6140.38
    benzyl alcohol 2515.45
    2-ethylhexanol 2852.66
    isooctanol 1511.47
    dipropyl ether 3413.39
    1,2-dichlorobenzene 3872.18
    ethyl lactate 1010.68
    propylene carbonate 4711.88
    n-methylformamide 3686.46
    2-pentanol 4771.34
    n-pentane 1500.83
    1-propoxy-2-propanol 3824.03
    1-methoxy-2-propyl acetate 3883.4
    2-(2-methoxypropoxy) propanol 1800.75
    mesitylene 1259.09
    ε-caprolactone 7542.36
    p-cymene 954.03
    epichlorohydrin 9930.23
    1,1,1-trichloroethane 8501.69
    2-aminoethanol 2057.23
    morpholine-4-carbaldehyde 5712.27
    sulfolane 6539.06
    2,2,4-trimethylpentane 657.82
    2-methyltetrahydrofuran 9901.3
    n-hexyl acetate 4300.71
    isooctane 508.91
    2-(2-butoxyethoxy)ethanol 2623.05
    sec-butyl acetate 2940.06
    tert-butyl acetate 4225.81
    decalin 905.09
    glycerin 1271.24
    diglyme 4560.73
    acrylic acid 2564.05
    isopropyl myristate 1346.54
    n-butyric acid 7571.85
    acetyl acetate 3529.47
    di(2-ethylhexyl) phthalate 1123.1
    ethyl propionate 3068.89
    nitromethane 6402.51
    1,2-diethoxyethane 5460.63
    benzonitrile 3901.09
    trioctyl phosphate 846.35
    1-bromopropane 8256.52
    gamma-valerolactone 9129.79
    n-decanol 1171.53
    triethyl phosphate 937.37
    4-methyl-2-pentanol 2515.54
    propionitrile 5959.19
    vinylene carbonate 4116.93
    1,1,2-trichlorotrifluoroethane 4364.81
    DMS 2456.33
    cumene 1146.78
    2-octanol 1596.88
    2-hexanone 4175.29
    octyl acetate 1748.96
    limonene 1832.93
    1,2-dimethoxyethane 8655.1
    ethyl orthosilicate 1087.59
    tributyl phosphate 1216.76
    diacetone alcohol 2935.11
    N,N-dimethylaniline 1909.07
    acrylonitrile 5202.99
    aniline 3941.36
    1,3-propanediol 3537.86
    bromobenzene 6460.63
    dibromomethane 12318.0
    1,1,2,2-tetrachloroethane 11856.7
    2-methyl-cyclohexyl acetate 2002.47
    tetrabutyl urea 1456.22
    diisobutyl methanol 1265.16
    2-phenylethanol 2663.37
    styrene 2673.11
    dioctyl adipate 1602.78
    dimethyl sulfate 1913.46
    ethyl butyrate 3199.69
    methyl lactate 1282.1
    butyl lactate 1788.38
    diethyl carbonate 1784.82
    propanediol butyl ether 1999.47
    triethyl orthoformate 1866.75
    p-tert-butyltoluene 918.98
    methyl 4-tert-butylbenzoate 1754.44
    morpholine 10622.27
    tert-butylamine 4831.13
    n-dodecanol 858.72
    dimethoxymethane 5736.59
    ethylene carbonate 4018.99
    cyrene 1358.13
    2-ethoxyethyl acetate 3424.98
    2-ethylhexyl acetate 4505.52
    1,2,4-trichlorobenzene 3733.27
    4-methylpyridine 9263.59
    dibutyl ether 3434.37
    2,6-dimethyl-4-heptanol 1265.16
    DEF 6816.52
    dimethyl isosorbide 2898.15
    tetrachloroethylene 8122.43
    eugenol 1731.53
    triacetin 2068.84
    span 80 1840.87
    1,4-butanediol 1571.86
    1,1-dichloroethane 10560.19
    2-methyl-1-pentanol 4558.45
    methyl formate 2981.68
    2-methyl-1-butanol 6382.3
    n-decane 467.52
    butyronitrile 8342.85
    3,7-dimethyl-1-octanol 2025.18
    1-chlorooctane 1809.21
    1-chlorotetradecane 616.67
    n-nonane 491.79
    undecane 329.04
    tert-butylcyclohexane 806.3
    cyclooctane 724.59
    cyclopentanol 5223.53
    tetrahydropyran 12030.4
    tert-amyl methyl ether 4807.56
    2,5,8-trioxanonane 2705.98
    1-hexene 5212.61
    2-isopropoxyethanol 2915.74
    2,2,2-trifluoroethanol 1288.35
    methyl butyrate 4885.85

    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