4-Butyl-2,5-dimethyloxazole

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  • Identifiers

    CAS number
    30408-62-9

    Molecular formula
    C9H15NO

    SMILES
    CCCCC1=C(OC(=N1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 66.95%
    Roasted 55.27%
    Nutty 51.45%
    Earthy 51.4%
    Vegetable 50.32%
    Fatty 43.9%
    Burnt 42.55%
    Meaty 38.43%
    Musty 37.02%
    Herbal 32.72%

     

    Flavor
    Roasted 58.26%
    Earthy 49.97%
    Burnt 48.68%
    Nutty 42.23%
    Meaty 38.39%
    Vegetable 37.55%
    Green 36.46%
    Musty 33.02%
    Earth 30.63%
    Potato 29.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.59 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    218°C

    Flash point

    • 73.96 ˚C est.

  • Synonyms

    • 4-Butyl-2,5-dimethyloxazole
    • 2,5-dimethyl-4-butyloxazole
    • 4-butyl-2,5-dimethyl-1,3-oxazole
    • SCHEMBL2616804
    • CHEBI:193689
    • MRXQRKKZDKCDSE-UHFFFAOYSA-N
    • DTXSID201310363
    • 30408-62-9
    • 30408-62-9

  • Applications

    4-Butyl-2,5-dimethyloxazole (CAS 30408-62-9) is primarily used as an organic building block in chemical synthesis. In industry, it is commonly used as an intermediate for the preparation of heterocyclic compounds in pharmaceutical development and in agrochemical development. It can also serve as a precursor for specialty polymers and material applications where oxazole motifs are advantageous, including coatings, adhesives, and electronic/optical material formulations. Additionally, the compound may be evaluated for fragrance formulations as a potential odorant or fragrance component in perfumery. Use is generally confined to research and development, and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2332.98
    methanol 3326.16
    isopropanol 1632.22
    water 8.91
    ethyl acetate 829.78
    n-propanol 1838.08
    acetone 1120.1
    n-butanol 1732.03
    acetonitrile 974.26
    DMF 1712.15
    toluene 877.29
    isobutanol 1528.91
    1,4-dioxane 2045.45
    methyl acetate 804.06
    THF 2581.74
    2-butanone 924.07
    n-pentanol 1185.31
    sec-butanol 1565.35
    n-hexane 423.89
    ethylene glycol 501.99
    NMP 1533.03
    cyclohexane 695.74
    DMSO 1349.75
    n-butyl acetate 890.97
    n-octanol 622.15
    chloroform 4425.68
    n-propyl acetate 514.77
    acetic acid 1392.19
    dichloromethane 3587.53
    cyclohexanone 1665.56
    propylene glycol 687.6
    isopropyl acetate 596.23
    DMAc 1351.06
    2-ethoxyethanol 989.12
    isopentanol 1433.43
    n-heptane 214.01
    ethyl formate 728.58
    1,2-dichloroethane 1535.17
    n-hexanol 1380.01
    2-methoxyethanol 1687.25
    isobutyl acetate 419.04
    tetrachloromethane 788.73
    n-pentyl acetate 575.52
    transcutol 1719.33
    n-heptanol 546.25
    ethylbenzene 448.52
    MIBK 558.12
    2-propoxyethanol 1337.58
    tert-butanol 1586.5
    MTBE 1392.97
    2-butoxyethanol 650.61
    propionic acid 985.78
    o-xylene 474.88
    formic acid 573.22
    diethyl ether 1264.45
    m-xylene 490.38
    p-xylene 603.84
    chlorobenzene 1107.91
    dimethyl carbonate 315.17
    n-octane 96.62
    formamide 524.61
    cyclopentanone 1510.35
    2-pentanone 803.45
    anisole 629.84
    cyclopentyl methyl ether 1207.15
    gamma-butyrolactone 1599.05
    1-methoxy-2-propanol 1144.93
    pyridine 1596.23
    3-pentanone 624.82
    furfural 1342.77
    n-dodecane 84.03
    diethylene glycol 826.92
    diisopropyl ether 368.69
    tert-amyl alcohol 1450.86
    acetylacetone 762.7
    n-hexadecane 93.75
    acetophenone 503.73
    methyl propionate 652.81
    isopentyl acetate 765.66
    trichloroethylene 2639.4
    n-nonanol 508.31
    cyclohexanol 1564.59
    benzyl alcohol 674.85
    2-ethylhexanol 662.02
    isooctanol 413.65
    dipropyl ether 613.58
    1,2-dichlorobenzene 883.58
    ethyl lactate 250.78
    propylene carbonate 996.06
    n-methylformamide 880.16
    2-pentanol 1059.11
    n-pentane 372.67
    1-propoxy-2-propanol 835.69
    1-methoxy-2-propyl acetate 612.54
    2-(2-methoxypropoxy) propanol 508.19
    mesitylene 303.8
    ε-caprolactone 1331.97
    p-cymene 264.64
    epichlorohydrin 1683.09
    1,1,1-trichloroethane 1603.55
    2-aminoethanol 948.81
    morpholine-4-carbaldehyde 1335.32
    sulfolane 1600.5
    2,2,4-trimethylpentane 186.11
    2-methyltetrahydrofuran 1940.47
    n-hexyl acetate 877.44
    isooctane 111.96
    2-(2-butoxyethoxy)ethanol 695.73
    sec-butyl acetate 378.12
    tert-butyl acetate 570.8
    decalin 232.53
    glycerin 675.13
    diglyme 1080.95
    acrylic acid 751.99
    isopropyl myristate 310.08
    n-butyric acid 1427.22
    acetyl acetate 573.7
    di(2-ethylhexyl) phthalate 339.36
    ethyl propionate 422.77
    nitromethane 1182.5
    1,2-diethoxyethane 741.75
    benzonitrile 895.26
    trioctyl phosphate 241.1
    1-bromopropane 1441.26
    gamma-valerolactone 1692.58
    n-decanol 358.83
    triethyl phosphate 222.98
    4-methyl-2-pentanol 541.71
    propionitrile 1056.22
    vinylene carbonate 983.84
    1,1,2-trichlorotrifluoroethane 1072.61
    DMS 502.92
    cumene 315.81
    2-octanol 430.39
    2-hexanone 603.3
    octyl acetate 419.59
    limonene 459.52
    1,2-dimethoxyethane 1515.84
    ethyl orthosilicate 239.51
    tributyl phosphate 293.45
    diacetone alcohol 587.44
    N,N-dimethylaniline 473.84
    acrylonitrile 974.83
    aniline 949.6
    1,3-propanediol 1101.66
    bromobenzene 1232.42
    dibromomethane 2524.15
    1,1,2,2-tetrachloroethane 2309.34
    2-methyl-cyclohexyl acetate 428.2
    tetrabutyl urea 373.9
    diisobutyl methanol 301.87
    2-phenylethanol 633.35
    styrene 566.59
    dioctyl adipate 406.04
    dimethyl sulfate 461.4
    ethyl butyrate 473.77
    methyl lactate 344.85
    butyl lactate 398.74
    diethyl carbonate 322.99
    propanediol butyl ether 618.79
    triethyl orthoformate 342.39
    p-tert-butyltoluene 258.26
    methyl 4-tert-butylbenzoate 492.85
    morpholine 2236.37
    tert-butylamine 1280.6
    n-dodecanol 270.27
    dimethoxymethane 1052.84
    ethylene carbonate 846.2
    cyrene 449.44
    2-ethoxyethyl acetate 594.28
    2-ethylhexyl acetate 601.24
    1,2,4-trichlorobenzene 945.71
    4-methylpyridine 1588.58
    dibutyl ether 597.19
    2,6-dimethyl-4-heptanol 301.87
    DEF 967.93
    dimethyl isosorbide 801.89
    tetrachloroethylene 1628.14
    eugenol 476.33
    triacetin 519.38
    span 80 579.89
    1,4-butanediol 575.23
    1,1-dichloroethane 1768.51
    2-methyl-1-pentanol 1079.04
    methyl formate 676.36
    2-methyl-1-butanol 1439.04
    n-decane 136.31
    butyronitrile 1329.04
    3,7-dimethyl-1-octanol 532.83
    1-chlorooctane 452.1
    1-chlorotetradecane 178.21
    n-nonane 144.55
    undecane 101.93
    tert-butylcyclohexane 206.41
    cyclooctane 182.02
    cyclopentanol 1572.61
    tetrahydropyran 2229.03
    tert-amyl methyl ether 922.76
    2,5,8-trioxanonane 747.66
    1-hexene 945.48
    2-isopropoxyethanol 652.83
    2,2,2-trifluoroethanol 388.87
    methyl butyrate 644.33

    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