5-Ethyl-2-hexyl-4-methyloxazole

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  • Identifiers

    CAS number
    84028-19-3

    Molecular formula
    C12H21NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 66.97%
    Fatty 54.27%
    Vegetable 45.41%
    Nutty 44.92%
    Earthy 44.59%
    Roasted 43.48%
    Meaty 35.86%
    Fruity 33.28%
    Burnt 31.08%
    Herbal 30.48%

     

    Flavor
    Green 62.01%
    Earthy 47.76%
    Roasted 38.85%
    Pepper 37.87%
    Fatty 35.88%
    Vegetable 35.09%
    Herbal 34.52%
    Nutty 31.83%
    Burnt 31.56%
    Mushroom 29.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.88 (neutral)

    Molecular weight
    195.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    244°C

    Flash point

    • 106.83 ˚C est.

  • Synonyms

    • 5-Ethyl-2-hexyl-4-methyloxazole
    • 5-ethyl-2-hexyl-4-methyl-1,3-oxazole
    • 2-hexyl-4-methyl-5-ethyloxazole
    • CHEBI:186823
    • GMYPXSDTCUYNAF-UHFFFAOYSA-N
    • DTXSID401303229
    • 84028-19-3
    • 84028-19-3

  • Applications

    Chemical name: 5-Ethyl-2-hexyl-4-methyloxazole; CAS number: 84028-19-3 is used primarily as an organic synthesis intermediate and as an aroma-related compound. In perfumery and flavor applications it is evaluated as a fragrance/odorant precursor and scent modifier. In cosmetics and personal care it may serve as a fragrance ingredient or formulation additive. In industrial manufacturing it functions as a building block for oxazole-containing intermediates in specialty chemicals. In coatings and inks it can be used as a niche aromatic additive or precursor to functionalized polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10763.42
    methanol 13011.94
    isopropanol 7695.31
    water 0.97
    ethyl acetate 12399.66
    n-propanol 9168.21
    acetone 15317.8
    n-butanol 8916.4
    acetonitrile 11629.21
    DMF 14915.77
    toluene 6907.19
    isobutanol 8366.51
    1,4-dioxane 12452.81
    methyl acetate 9050.21
    THF 15642.09
    2-butanone 11883.35
    n-pentanol 6069.32
    sec-butanol 7873.97
    n-hexane 2985.78
    ethylene glycol 790.8
    NMP 9833.94
    cyclohexane 3709.46
    DMSO 10738.38
    n-butyl acetate 13048.28
    n-octanol 2651.21
    chloroform 27368.22
    n-propyl acetate 8183.45
    acetic acid 6761.34
    dichloromethane 30110.09
    cyclohexanone 17105.79
    propylene glycol 1417.95
    isopropyl acetate 8775.51
    DMAc 9745.23
    2-ethoxyethanol 6123.46
    isopentanol 8858.52
    n-heptane 949.55
    ethyl formate 7075.91
    1,2-dichloroethane 18164.38
    n-hexanol 6626.18
    2-methoxyethanol 9650.28
    isobutyl acetate 5328.88
    tetrachloromethane 4806.57
    n-pentyl acetate 6103.61
    transcutol 15278.45
    n-heptanol 2464.52
    ethylbenzene 3466.67
    MIBK 6679.19
    2-propoxyethanol 8215.69
    tert-butanol 7570.52
    MTBE 14072.29
    2-butoxyethanol 3940.73
    propionic acid 5289.86
    o-xylene 3119.04
    formic acid 1744.96
    diethyl ether 15219.85
    m-xylene 3675.87
    p-xylene 4606.54
    chlorobenzene 9230.94
    dimethyl carbonate 3030.79
    n-octane 441.79
    formamide 2609.19
    cyclopentanone 13295.02
    2-pentanone 11379.53
    anisole 5593.44
    cyclopentyl methyl ether 9887.84
    gamma-butyrolactone 12829.69
    1-methoxy-2-propanol 6540.51
    pyridine 13768.71
    3-pentanone 7663.2
    furfural 9226.04
    n-dodecane 298.15
    diethylene glycol 3287.29
    diisopropyl ether 4062.43
    tert-amyl alcohol 7521.73
    acetylacetone 9425.95
    n-hexadecane 360.54
    acetophenone 4694.54
    methyl propionate 7838.12
    isopentyl acetate 10916.21
    trichloroethylene 27710.23
    n-nonanol 2243.18
    cyclohexanol 8119.44
    benzyl alcohol 3881.14
    2-ethylhexanol 4058.22
    isooctanol 2092.74
    dipropyl ether 5651.52
    1,2-dichlorobenzene 7067.25
    ethyl lactate 1812.95
    propylene carbonate 7315.41
    n-methylformamide 6310.61
    2-pentanol 6330.17
    n-pentane 1970.79
    1-propoxy-2-propanol 5945.4
    1-methoxy-2-propyl acetate 6647.28
    2-(2-methoxypropoxy) propanol 2792.26
    mesitylene 2229.71
    ε-caprolactone 12204.01
    p-cymene 1637.88
    epichlorohydrin 16594.31
    1,1,1-trichloroethane 14845.16
    2-aminoethanol 2416.38
    morpholine-4-carbaldehyde 8905.77
    sulfolane 11201.17
    2,2,4-trimethylpentane 967.32
    2-methyltetrahydrofuran 14955.1
    n-hexyl acetate 7212.56
    isooctane 702.39
    2-(2-butoxyethoxy)ethanol 3966.82
    sec-butyl acetate 5774.6
    tert-butyl acetate 7327.62
    decalin 1318.2
    glycerin 1454.69
    diglyme 7569.6
    acrylic acid 3709.16
    isopropyl myristate 2048.26
    n-butyric acid 10862.05
    acetyl acetate 5908.06
    di(2-ethylhexyl) phthalate 1671.57
    ethyl propionate 6199.23
    nitromethane 10441.61
    1,2-diethoxyethane 10151.19
    benzonitrile 6919.62
    trioctyl phosphate 1227.37
    1-bromopropane 13615.76
    gamma-valerolactone 14776.6
    n-decanol 1472.25
    triethyl phosphate 1596.63
    4-methyl-2-pentanol 3402.45
    propionitrile 10522.24
    vinylene carbonate 6607.8
    1,1,2-trichlorotrifluoroethane 7207.18
    DMS 4366.54
    cumene 2031.11
    2-octanol 2141.67
    2-hexanone 8066.08
    octyl acetate 2652.58
    limonene 2901.74
    1,2-dimethoxyethane 13939.3
    ethyl orthosilicate 1836.14
    tributyl phosphate 1909.66
    diacetone alcohol 4885.29
    N,N-dimethylaniline 3419.9
    acrylonitrile 9844.23
    aniline 6425.4
    1,3-propanediol 4203.01
    bromobenzene 11328.14
    dibromomethane 20243.53
    1,1,2,2-tetrachloroethane 20706.58
    2-methyl-cyclohexyl acetate 3445.15
    tetrabutyl urea 2304.21
    diisobutyl methanol 1783.82
    2-phenylethanol 3949.76
    styrene 4929.48
    dioctyl adipate 2454.54
    dimethyl sulfate 3467.01
    ethyl butyrate 6230.93
    methyl lactate 2005.54
    butyl lactate 3037.66
    diethyl carbonate 3260.13
    propanediol butyl ether 2835.87
    triethyl orthoformate 3349.45
    p-tert-butyltoluene 1437.4
    methyl 4-tert-butylbenzoate 2831.65
    morpholine 15424.1
    tert-butylamine 6104.87
    n-dodecanol 1054.07
    dimethoxymethane 9382.65
    ethylene carbonate 6430.0
    cyrene 2012.0
    2-ethoxyethyl acetate 6356.73
    2-ethylhexyl acetate 8498.01
    1,2,4-trichlorobenzene 6904.48
    4-methylpyridine 16220.78
    dibutyl ether 5686.8
    2,6-dimethyl-4-heptanol 1783.82
    DEF 12729.36
    dimethyl isosorbide 4537.27
    tetrachloroethylene 13384.89
    eugenol 2784.04
    triacetin 3607.67
    span 80 2657.98
    1,4-butanediol 1863.32
    1,1-dichloroethane 18110.97
    2-methyl-1-pentanol 6518.39
    methyl formate 4968.76
    2-methyl-1-butanol 8677.61
    n-decane 562.32
    butyronitrile 13411.82
    3,7-dimethyl-1-octanol 2912.37
    1-chlorooctane 2583.92
    1-chlorotetradecane 812.81
    n-nonane 580.02
    undecane 385.44
    tert-butylcyclohexane 1195.72
    cyclooctane 956.02
    cyclopentanol 6700.36
    tetrahydropyran 17873.74
    tert-amyl methyl ether 8128.47
    2,5,8-trioxanonane 4114.48
    1-hexene 8447.02
    2-isopropoxyethanol 4408.97
    2,2,2-trifluoroethanol 1773.25
    methyl butyrate 10026.59

    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