Oxazole, 5-hexyl-2,4-dimethyl-

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  • Identifiers

    CAS number
    20662-85-5

    Molecular formula
    C11H19NO

    SMILES
    CCCCCCC1=C(N=C(O1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 58.85%
    Fatty 55.79%
    Roasted 48.36%
    Nutty 46.81%
    Vegetable 44.3%
    Earthy 43.59%
    Meaty 41.27%
    Burnt 35.33%
    Fruity 35.13%
    Musty 31.01%

     

    Flavor
    Roasted 48.21%
    Earthy 47.44%
    Burnt 40.16%
    Green 38.2%
    Nutty 36.04%
    Musty 32.67%
    Vegetable 31.93%
    Meaty 31.85%
    Pepper 31.62%
    Fatty 30.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.2 (weak base)

    Molecular weight
    181.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    252°C

    Flash point

    • 97.29 ˚C est.

  • Synonyms

    • Oxazole, 5-hexyl-2,4-dimethyl-
    • 20662-85-5
    • 5-Hexyl-2,4-dimethyl-1,3-oxazole
    • 5-Hexyl-2,4-dimethyloxazole
    • SCHEMBL13566384
    • DTXSID50341490
    • PFPGGXLERJDRPB-UHFFFAOYSA-N
    • 5-Hexyl-2,4-dimethyl-1,3-oxazole #
    • DB-368722
    • 20662-85-5

  • Applications

    Oxazole, 5-hexyl-2,4-dimethyl-, CAS 20662-85-5 is regarded as a useful building block and heterocyclic scaffold in organic synthesis, with practical applications across several sectors: as a fragrance ingredient and fixative in perfumery; as a reagent or intermediate in cosmetics and personal care; in household products such as cleaners and detergents where it contributes to fragrance and scent stability; as a synthetic intermediate in pharmaceutical research and development; and as a building block for specialty materials, polymers and organic electronic materials. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3749.05
    methanol 4852.28
    isopropanol 2580.67
    water 1.02
    ethyl acetate 2883.12
    n-propanol 2992.28
    acetone 3875.32
    n-butanol 2947.45
    acetonitrile 2635.29
    DMF 4682.03
    toluene 1966.41
    isobutanol 2692.78
    1,4-dioxane 4255.24
    methyl acetate 2424.24
    THF 5423.29
    2-butanone 3084.35
    n-pentanol 2061.54
    sec-butanol 2534.16
    n-hexane 970.2
    ethylene glycol 482.9
    NMP 3750.84
    cyclohexane 1072.18
    DMSO 4064.84
    n-butyl acetate 3133.53
    n-octanol 872.99
    chloroform 8548.81
    n-propyl acetate 1842.15
    acetic acid 2363.61
    dichloromethane 8164.62
    cyclohexanone 4674.92
    propylene glycol 799.33
    isopropyl acetate 2151.38
    DMAc 3501.76
    2-ethoxyethanol 1978.44
    isopentanol 2919.82
    n-heptane 273.74
    ethyl formate 1695.52
    1,2-dichloroethane 4721.02
    n-hexanol 2264.71
    2-methoxyethanol 3170.89
    isobutyl acetate 1402.6
    tetrachloromethane 1447.81
    n-pentyl acetate 1589.89
    transcutol 5574.82
    n-heptanol 802.6
    ethylbenzene 927.07
    MIBK 1852.45
    2-propoxyethanol 2774.08
    tert-butanol 2801.59
    MTBE 4284.8
    2-butoxyethanol 1284.5
    propionic acid 1868.35
    o-xylene 980.35
    formic acid 763.83
    diethyl ether 3891.69
    m-xylene 1119.21
    p-xylene 1203.4
    chlorobenzene 2674.18
    dimethyl carbonate 901.44
    n-octane 121.02
    formamide 947.26
    cyclopentanone 4189.73
    2-pentanone 2841.04
    anisole 1542.37
    cyclopentyl methyl ether 3340.99
    gamma-butyrolactone 4000.91
    1-methoxy-2-propanol 2324.07
    pyridine 3625.37
    3-pentanone 2111.54
    furfural 3044.38
    n-dodecane 95.0
    diethylene glycol 1423.08
    diisopropyl ether 1118.95
    tert-amyl alcohol 2697.55
    acetylacetone 2613.06
    n-hexadecane 111.02
    acetophenone 1256.11
    methyl propionate 2089.37
    isopentyl acetate 2814.06
    trichloroethylene 7602.4
    n-nonanol 745.15
    cyclohexanol 2835.75
    benzyl alcohol 1267.02
    2-ethylhexanol 1287.55
    isooctanol 671.78
    dipropyl ether 1524.18
    1,2-dichlorobenzene 2054.9
    ethyl lactate 586.48
    propylene carbonate 2274.86
    n-methylformamide 1849.22
    2-pentanol 2044.29
    n-pentane 609.36
    1-propoxy-2-propanol 1966.02
    1-methoxy-2-propyl acetate 2046.47
    2-(2-methoxypropoxy) propanol 1134.95
    mesitylene 700.98
    ε-caprolactone 3580.37
    p-cymene 477.77
    epichlorohydrin 4857.71
    1,1,1-trichloroethane 4171.06
    2-aminoethanol 1138.35
    morpholine-4-carbaldehyde 3221.65
    sulfolane 4176.37
    2,2,4-trimethylpentane 328.08
    2-methyltetrahydrofuran 4800.57
    n-hexyl acetate 2087.27
    isooctane 226.61
    2-(2-butoxyethoxy)ethanol 1556.42
    sec-butyl acetate 1461.96
    tert-butyl acetate 2127.09
    decalin 424.53
    glycerin 867.81
    diglyme 2542.99
    acrylic acid 1391.58
    isopropyl myristate 650.41
    n-butyric acid 3209.39
    acetyl acetate 1596.5
    di(2-ethylhexyl) phthalate 643.91
    ethyl propionate 1494.48
    nitromethane 3031.82
    1,2-diethoxyethane 2732.84
    benzonitrile 1872.73
    trioctyl phosphate 446.63
    1-bromopropane 3707.14
    gamma-valerolactone 4508.33
    n-decanol 515.27
    triethyl phosphate 528.32
    4-methyl-2-pentanol 1148.87
    propionitrile 2629.96
    vinylene carbonate 2016.65
    1,1,2-trichlorotrifluoroethane 2636.4
    DMS 1410.35
    cumene 596.35
    2-octanol 661.19
    2-hexanone 2066.39
    octyl acetate 843.49
    limonene 883.11
    1,2-dimethoxyethane 3892.35
    ethyl orthosilicate 613.98
    tributyl phosphate 680.39
    diacetone alcohol 1591.67
    N,N-dimethylaniline 1041.52
    acrylonitrile 2610.29
    aniline 2146.84
    1,3-propanediol 1611.53
    bromobenzene 3104.2
    dibromomethane 5698.84
    1,1,2,2-tetrachloroethane 6347.42
    2-methyl-cyclohexyl acetate 1119.06
    tetrabutyl urea 799.31
    diisobutyl methanol 591.37
    2-phenylethanol 1308.78
    styrene 1295.65
    dioctyl adipate 880.23
    dimethyl sulfate 1304.17
    ethyl butyrate 1478.45
    methyl lactate 734.81
    butyl lactate 983.15
    diethyl carbonate 856.84
    propanediol butyl ether 1100.97
    triethyl orthoformate 956.57
    p-tert-butyltoluene 469.57
    methyl 4-tert-butylbenzoate 996.06
    morpholine 4842.09
    tert-butylamine 2155.13
    n-dodecanol 377.65
    dimethoxymethane 2671.18
    ethylene carbonate 1893.13
    cyrene 890.39
    2-ethoxyethyl acetate 1813.08
    2-ethylhexyl acetate 2206.59
    1,2,4-trichlorobenzene 2196.56
    4-methylpyridine 4144.45
    dibutyl ether 1478.51
    2,6-dimethyl-4-heptanol 591.37
    DEF 3258.72
    dimethyl isosorbide 1768.27
    tetrachloroethylene 4170.15
    eugenol 970.42
    triacetin 1213.5
    span 80 1074.81
    1,4-butanediol 770.85
    1,1-dichloroethane 4701.38
    2-methyl-1-pentanol 2171.76
    methyl formate 1404.15
    2-methyl-1-butanol 2934.98
    n-decane 165.67
    butyronitrile 3105.82
    3,7-dimethyl-1-octanol 946.43
    1-chlorooctane 763.96
    1-chlorotetradecane 276.94
    n-nonane 173.87
    undecane 119.83
    tert-butylcyclohexane 415.64
    cyclooctane 293.06
    cyclopentanol 2469.93
    tetrahydropyran 5140.78
    tert-amyl methyl ether 2646.44
    2,5,8-trioxanonane 1616.92
    1-hexene 2430.8
    2-isopropoxyethanol 1459.76
    2,2,2-trifluoroethanol 726.67
    methyl butyrate 2270.36

    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