2-Hexyl-4,5-dimethyloxazole

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  • Identifiers

    CAS number
    20662-87-7

    Molecular formula
    C11H19NO

    SMILES
    CCCCCCC1=NC(=C(O1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 60.25%
    Fatty 59.26%
    Roasted 47.52%
    Nutty 45.54%
    Vegetable 44.53%
    Earthy 42.49%
    Meaty 40.54%
    Burnt 34.62%
    Herbal 32.19%
    Fruity 31.79%

     

    Flavor
    Green 48.99%
    Earthy 47.26%
    Roasted 44.51%
    Burnt 37.31%
    Pepper 34.71%
    Nutty 34.45%
    Vegetable 33.54%
    Fatty 32.19%
    Musty 30.95%
    Herbal 29.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.06 (weak base)

    Molecular weight
    181.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point

    • 95.21 ˚C est.

  • Synonyms

    • 2-hexyl-4,5-dimethyloxazole
    • 2-Hexyl-4,5-dimethyl-1,3-oxazole
    • Oxazole, 2-hexyl-4,5-dimethyl-
    • 20662-87-7
    • SCHEMBL30665022
    • DTXSID40335545
    • CHEBI:195872
    • KNPWGHJHGHEJLW-UHFFFAOYSA-N
    • DB-365130
    • 20662-87-7

  • Applications

    2-Hexyl-4,5-dimethyloxazole (CAS 20662-87-7) may be used as an odor-active compound and building block in fragrance chemistry, where it can function as a fragrance ingredient or a potential fixative in perfumery formulations. It is also considered for cosmetic and personal-care applications as a fragrance component or scent modifier, and may appear in household products as part of odor profiles in cleaners and air-freshener formulations. In industrial manufacturing, the oxazole derivative can serve as an intermediate or specialty building block for broader chemical syntheses, polymers, or coatings formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3949.94
    methanol 4689.66
    isopropanol 2912.53
    water 0.68
    ethyl acetate 3593.48
    n-propanol 3198.81
    acetone 4543.15
    n-butanol 3175.3
    acetonitrile 3145.66
    DMF 5063.26
    toluene 2234.54
    isobutanol 2925.92
    1,4-dioxane 4766.48
    methyl acetate 2932.87
    THF 5696.87
    2-butanone 3652.9
    n-pentanol 2290.42
    sec-butanol 3004.29
    n-hexane 1109.87
    ethylene glycol 412.45
    NMP 3775.06
    cyclohexane 1142.47
    DMSO 4332.07
    n-butyl acetate 3773.28
    n-octanol 1010.08
    chloroform 9976.29
    n-propyl acetate 2333.82
    acetic acid 2285.8
    dichloromethane 9463.16
    cyclohexanone 5186.73
    propylene glycol 777.58
    isopropyl acetate 2649.29
    DMAc 3880.51
    2-ethoxyethanol 2247.0
    isopentanol 3277.53
    n-heptane 306.8
    ethyl formate 2021.05
    1,2-dichloroethane 5397.64
    n-hexanol 2412.77
    2-methoxyethanol 3468.31
    isobutyl acetate 1753.95
    tetrachloromethane 1704.02
    n-pentyl acetate 1906.0
    transcutol 6622.91
    n-heptanol 946.54
    ethylbenzene 1198.19
    MIBK 2159.04
    2-propoxyethanol 2978.47
    tert-butanol 3154.18
    MTBE 5175.23
    2-butoxyethanol 1517.25
    propionic acid 1979.68
    o-xylene 1192.56
    formic acid 672.62
    diethyl ether 4560.34
    m-xylene 1304.86
    p-xylene 1611.81
    chlorobenzene 3015.35
    dimethyl carbonate 1028.1
    n-octane 144.44
    formamide 952.87
    cyclopentanone 4578.67
    2-pentanone 3388.34
    anisole 2010.15
    cyclopentyl methyl ether 3460.88
    gamma-butyrolactone 4345.38
    1-methoxy-2-propanol 2520.52
    pyridine 4355.49
    3-pentanone 2476.69
    furfural 3389.89
    n-dodecane 111.26
    diethylene glycol 1463.72
    diisopropyl ether 1343.51
    tert-amyl alcohol 3128.14
    acetylacetone 3071.65
    n-hexadecane 130.36
    acetophenone 1662.67
    methyl propionate 2496.35
    isopentyl acetate 3445.84
    trichloroethylene 8842.17
    n-nonanol 871.39
    cyclohexanol 3025.21
    benzyl alcohol 1501.42
    2-ethylhexanol 1452.69
    isooctanol 798.27
    dipropyl ether 1761.27
    1,2-dichlorobenzene 2457.85
    ethyl lactate 727.94
    propylene carbonate 2546.85
    n-methylformamide 1933.62
    2-pentanol 2267.7
    n-pentane 662.76
    1-propoxy-2-propanol 2182.63
    1-methoxy-2-propyl acetate 2449.97
    2-(2-methoxypropoxy) propanol 1353.17
    mesitylene 830.7
    ε-caprolactone 4020.36
    p-cymene 592.69
    epichlorohydrin 5518.08
    1,1,1-trichloroethane 5088.35
    2-aminoethanol 1098.62
    morpholine-4-carbaldehyde 3503.91
    sulfolane 4496.29
    2,2,4-trimethylpentane 378.97
    2-methyltetrahydrofuran 5221.87
    n-hexyl acetate 2474.4
    isooctane 257.16
    2-(2-butoxyethoxy)ethanol 1873.46
    sec-butyl acetate 1844.36
    tert-butyl acetate 2527.03
    decalin 487.26
    glycerin 813.36
    diglyme 3084.37
    acrylic acid 1455.68
    isopropyl myristate 758.73
    n-butyric acid 3538.05
    acetyl acetate 1901.05
    di(2-ethylhexyl) phthalate 737.54
    ethyl propionate 1910.77
    nitromethane 3280.46
    1,2-diethoxyethane 3496.38
    benzonitrile 2267.16
    trioctyl phosphate 504.59
    1-bromopropane 4254.36
    gamma-valerolactone 4996.11
    n-decanol 599.77
    triethyl phosphate 640.41
    4-methyl-2-pentanol 1307.9
    propionitrile 3080.25
    vinylene carbonate 2297.59
    1,1,2-trichlorotrifluoroethane 2891.09
    DMS 1688.19
    cumene 777.2
    2-octanol 777.82
    2-hexanone 2553.09
    octyl acetate 983.88
    limonene 1013.53
    1,2-dimethoxyethane 4505.26
    ethyl orthosilicate 728.59
    tributyl phosphate 774.29
    diacetone alcohol 1858.77
    N,N-dimethylaniline 1302.13
    acrylonitrile 2999.97
    aniline 2381.2
    1,3-propanediol 1686.64
    bromobenzene 3635.29
    dibromomethane 6666.98
    1,1,2,2-tetrachloroethane 7340.64
    2-methyl-cyclohexyl acetate 1335.11
    tetrabutyl urea 900.99
    diisobutyl methanol 695.85
    2-phenylethanol 1502.68
    styrene 1650.07
    dioctyl adipate 1030.24
    dimethyl sulfate 1388.28
    ethyl butyrate 1905.16
    methyl lactate 821.73
    butyl lactate 1185.29
    diethyl carbonate 1103.13
    propanediol butyl ether 1293.89
    triethyl orthoformate 1188.87
    p-tert-butyltoluene 567.84
    methyl 4-tert-butylbenzoate 1170.04
    morpholine 5396.81
    tert-butylamine 2501.34
    n-dodecanol 440.14
    dimethoxymethane 2961.21
    ethylene carbonate 2151.35
    cyrene 993.05
    2-ethoxyethyl acetate 2194.64
    2-ethylhexyl acetate 2707.75
    1,2,4-trichlorobenzene 2642.84
    4-methylpyridine 4948.85
    dibutyl ether 1834.72
    2,6-dimethyl-4-heptanol 695.85
    DEF 3856.1
    dimethyl isosorbide 2029.39
    tetrachloroethylene 4762.33
    eugenol 1171.93
    triacetin 1468.8
    span 80 1261.41
    1,4-butanediol 824.89
    1,1-dichloroethane 5792.46
    2-methyl-1-pentanol 2548.58
    methyl formate 1467.34
    2-methyl-1-butanol 3235.23
    n-decane 198.02
    butyronitrile 3651.55
    3,7-dimethyl-1-octanol 1145.46
    1-chlorooctane 897.97
    1-chlorotetradecane 321.4
    n-nonane 202.22
    undecane 140.2
    tert-butylcyclohexane 480.65
    cyclooctane 310.46
    cyclopentanol 2493.45
    tetrahydropyran 5696.46
    tert-amyl methyl ether 3172.29
    2,5,8-trioxanonane 1923.57
    1-hexene 2878.47
    2-isopropoxyethanol 1760.9
    2,2,2-trifluoroethanol 725.95
    methyl butyrate 2898.41

    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