4-Hexyl-2,5-dimethyloxazole

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  • Identifiers

    CAS number
    20662-86-6

    Molecular formula
    C11H19NO

    SMILES
    CCCCCCC1=C(OC(=N1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 55.77%
    Fatty 54.26%
    Roasted 44.92%
    Nutty 43.46%
    Earthy 40.38%
    Vegetable 39.5%
    Meaty 39.29%
    Burnt 34.58%
    Fruity 33.43%
    Floral 32.21%

     

    Flavor
    Roasted 46.34%
    Earthy 44.68%
    Burnt 37.95%
    Green 36.1%
    Nutty 33.08%
    Musty 32.26%
    Meaty 31.24%
    Pepper 31.14%
    Fatty 30.57%
    Vegetable 29.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.14 (weak base)

    Molecular weight
    181.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 93.2 ˚C est.

  • Synonyms

    • 4-Hexyl-2,5-dimethyloxazole
    • Oxazole, 4-hexyl-2,5-dimethyl-
    • 4-Hexyl-2,5-dimethyl-1,3-oxazole
    • 20662-86-6
    • 2,5-dimethyl-4-hexyloxazole
    • SCHEMBL13566391
    • DTXSID40341545
    • CHEBI:166557
    • HMYAUWMKFPILNN-UHFFFAOYSA-N
    • 4-Hexyl-2,5-dimethyl-1,3-oxazole #
    • DB-367816
    • 20662-86-6

  • Applications

    4-Hexyl-2,5-dimethyloxazole (CAS 20662-86-6) is a heterocyclic oxazole-containing compound that is typically used as a fragrance ingredient or odorant in perfumery and consumer products; it is also evaluated as an intermediate for the synthesis of oxazole-containing compounds used in specialty chemicals. In cosmetics and personal care, it may serve as a perfume note or aroma component within formulations. In household products and coatings and inks, it can function as an aroma additive to impart a specific scent profile. In industrial manufacturing, it is commonly considered a building block for the development of specialty chemicals, including polymers and materials with oxazole motifs. Additionally, it may be explored as a precursor for specialty polymers or as a starting point in the synthesis of related heterocyclic compounds used in various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3643.23
    methanol 4749.48
    isopropanol 2520.88
    water 0.86
    ethyl acetate 2679.57
    n-propanol 2951.36
    acetone 3657.91
    n-butanol 2848.65
    acetonitrile 2431.49
    DMF 4219.31
    toluene 1788.27
    isobutanol 2602.39
    1,4-dioxane 4213.95
    methyl acetate 2252.59
    THF 5264.29
    2-butanone 2850.71
    n-pentanol 1959.1
    sec-butanol 2488.67
    n-hexane 931.41
    ethylene glycol 499.17
    NMP 3359.52
    cyclohexane 1053.45
    DMSO 3909.88
    n-butyl acetate 2741.39
    n-octanol 836.85
    chloroform 7478.46
    n-propyl acetate 1617.14
    acetic acid 2085.17
    dichloromethane 6917.06
    cyclohexanone 4232.61
    propylene glycol 832.31
    isopropyl acetate 1945.5
    DMAc 3163.54
    2-ethoxyethanol 1814.81
    isopentanol 2751.21
    n-heptane 269.74
    ethyl formate 1483.81
    1,2-dichloroethane 4122.27
    n-hexanol 2200.46
    2-methoxyethanol 3017.71
    isobutyl acetate 1209.81
    tetrachloromethane 1272.27
    n-pentyl acetate 1415.87
    transcutol 5199.38
    n-heptanol 753.76
    ethylbenzene 795.42
    MIBK 1679.66
    2-propoxyethanol 2698.59
    tert-butanol 2822.89
    MTBE 4150.62
    2-butoxyethanol 1179.98
    propionic acid 1747.15
    o-xylene 872.63
    formic acid 674.51
    diethyl ether 3819.69
    m-xylene 1011.84
    p-xylene 1027.94
    chlorobenzene 2295.04
    dimethyl carbonate 823.34
    n-octane 116.65
    formamide 852.06
    cyclopentanone 3837.48
    2-pentanone 2644.85
    anisole 1363.11
    cyclopentyl methyl ether 3181.87
    gamma-butyrolactone 3585.49
    1-methoxy-2-propanol 2273.85
    pyridine 3228.08
    3-pentanone 1972.21
    furfural 2617.46
    n-dodecane 92.1
    diethylene glycol 1380.17
    diisopropyl ether 1086.24
    tert-amyl alcohol 2594.01
    acetylacetone 2415.06
    n-hexadecane 108.23
    acetophenone 1072.21
    methyl propionate 1971.41
    isopentyl acetate 2444.88
    trichloroethylene 6375.25
    n-nonanol 706.56
    cyclohexanol 2717.1
    benzyl alcohol 1140.78
    2-ethylhexanol 1222.69
    isooctanol 623.54
    dipropyl ether 1447.94
    1,2-dichlorobenzene 1727.48
    ethyl lactate 524.55
    propylene carbonate 2022.45
    n-methylformamide 1693.91
    2-pentanol 1957.67
    n-pentane 595.83
    1-propoxy-2-propanol 1884.5
    1-methoxy-2-propyl acetate 1893.63
    2-(2-methoxypropoxy) propanol 1065.13
    mesitylene 641.11
    ε-caprolactone 3241.55
    p-cymene 422.71
    epichlorohydrin 4336.51
    1,1,1-trichloroethane 3712.4
    2-aminoethanol 1135.51
    morpholine-4-carbaldehyde 2921.81
    sulfolane 3822.76
    2,2,4-trimethylpentane 308.77
    2-methyltetrahydrofuran 4655.51
    n-hexyl acetate 1910.92
    isooctane 215.65
    2-(2-butoxyethoxy)ethanol 1474.31
    sec-butyl acetate 1243.44
    tert-butyl acetate 1947.69
    decalin 396.91
    glycerin 878.92
    diglyme 2320.3
    acrylic acid 1273.7
    isopropyl myristate 601.12
    n-butyric acid 2889.26
    acetyl acetate 1435.69
    di(2-ethylhexyl) phthalate 594.19
    ethyl propionate 1319.68
    nitromethane 2665.7
    1,2-diethoxyethane 2492.75
    benzonitrile 1576.73
    trioctyl phosphate 413.93
    1-bromopropane 3348.51
    gamma-valerolactone 4090.63
    n-decanol 492.15
    triethyl phosphate 464.95
    4-methyl-2-pentanol 1078.88
    propionitrile 2415.15
    vinylene carbonate 1766.43
    1,1,2-trichlorotrifluoroethane 2382.7
    DMS 1250.41
    cumene 517.28
    2-octanol 622.52
    2-hexanone 1849.92
    octyl acetate 774.0
    limonene 816.04
    1,2-dimethoxyethane 3576.62
    ethyl orthosilicate 533.37
    tributyl phosphate 611.99
    diacetone alcohol 1493.66
    N,N-dimethylaniline 901.84
    acrylonitrile 2325.42
    aniline 1962.0
    1,3-propanediol 1555.47
    bromobenzene 2640.01
    dibromomethane 4947.86
    1,1,2,2-tetrachloroethane 5519.1
    2-methyl-cyclohexyl acetate 999.19
    tetrabutyl urea 723.72
    diisobutyl methanol 551.92
    2-phenylethanol 1173.86
    styrene 1110.45
    dioctyl adipate 800.92
    dimethyl sulfate 1184.43
    ethyl butyrate 1284.41
    methyl lactate 693.88
    butyl lactate 868.77
    diethyl carbonate 735.41
    propanediol butyl ether 1041.41
    triethyl orthoformate 833.81
    p-tert-butyltoluene 422.12
    methyl 4-tert-butylbenzoate 904.84
    morpholine 4722.04
    tert-butylamine 2121.21
    n-dodecanol 362.87
    dimethoxymethane 2537.43
    ethylene carbonate 1656.62
    cyrene 831.87
    2-ethoxyethyl acetate 1642.21
    2-ethylhexyl acetate 1895.25
    1,2,4-trichlorobenzene 1864.86
    4-methylpyridine 3646.54
    dibutyl ether 1354.95
    2,6-dimethyl-4-heptanol 551.92
    DEF 2896.68
    dimethyl isosorbide 1617.67
    tetrachloroethylene 3629.59
    eugenol 862.64
    triacetin 1096.09
    span 80 1022.11
    1,4-butanediol 731.49
    1,1-dichloroethane 4175.1
    2-methyl-1-pentanol 1991.8
    methyl formate 1247.91
    2-methyl-1-butanol 2741.44
    n-decane 159.65
    butyronitrile 2801.3
    3,7-dimethyl-1-octanol 888.72
    1-chlorooctane 726.78
    1-chlorotetradecane 262.88
    n-nonane 168.48
    undecane 116.41
    tert-butylcyclohexane 386.22
    cyclooctane 295.44
    cyclopentanol 2401.9
    tetrahydropyran 5011.81
    tert-amyl methyl ether 2491.07
    2,5,8-trioxanonane 1515.81
    1-hexene 2275.02
    2-isopropoxyethanol 1344.38
    2,2,2-trifluoroethanol 636.05
    methyl butyrate 1938.63

    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