2,4-Dimethyl-5-butyloxazole

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  • Identifiers

    CAS number
    88300-07-6

    Molecular formula
    C9H15NO

    SMILES
    CCCCC1=C(N=C(O1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 69.37%
    Roasted 59.25%
    Nutty 56.21%
    Vegetable 55.03%
    Earthy 54.77%
    Burnt 44.04%
    Fatty 43.48%
    Meaty 39.73%
    Musty 39.21%
    Herbal 33.21%

     

    Flavor
    Roasted 59.25%
    Burnt 50.77%
    Earthy 50.17%
    Nutty 44.33%
    Vegetable 37.74%
    Meaty 37.11%
    Green 33.19%
    Musty 32.75%
    Potato 31.82%
    Coffee 30.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.57 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    214°C

    Flash point

    • 76.33 ˚C est.

  • Synonyms

    • 2,4-dimethyl-5-butyloxazole
    • 5-butyl-2,4-dimethyl-1,3-oxazole
    • 5-Butyl-2,4-dimethyloxazole
    • 88300-07-6
    • DTXSID80335544
    • CHEBI:193691
    • IXECKEKKCJBKQJ-UHFFFAOYSA-N
    • 88300-07-6

  • Applications

    2,4-Dimethyl-5-butyloxazole (CAS 88300-07-6) is primarily used as a specialty intermediate in organic synthesis, serving as a building block for pharmaceutical and agrochemical compounds. It is commonly evaluated for use in medicinal-chemistry workflows to construct heterocyclic motifs and related intermediates. In industrial materials chemistry, it may function as a precursor for functionalized oxazole derivatives employed in polymers and coatings formulations. The compound may also be encountered as a reactive intermediate in the synthesis of fine chemicals and as a starting point for further functionalization in research and development settings. Its use is typically subject to local regulations and formulation specifications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2479.29
    methanol 3654.72
    isopropanol 1772.2
    water 10.26
    ethyl acetate 825.03
    n-propanol 2053.35
    acetone 1097.89
    n-butanol 1920.24
    acetonitrile 1048.07
    DMF 1760.67
    toluene 953.33
    isobutanol 1694.5
    1,4-dioxane 2002.74
    methyl acetate 825.29
    THF 2483.81
    2-butanone 981.3
    n-pentanol 1349.44
    sec-butanol 1751.83
    n-hexane 487.52
    ethylene glycol 511.68
    NMP 1560.23
    cyclohexane 730.25
    DMSO 1307.06
    n-butyl acetate 986.53
    n-octanol 696.28
    chloroform 4996.08
    n-propyl acetate 593.41
    acetic acid 1409.07
    dichloromethane 4150.44
    cyclohexanone 1710.07
    propylene glycol 670.92
    isopropyl acetate 617.22
    DMAc 1444.68
    2-ethoxyethanol 1126.49
    isopentanol 1588.37
    n-heptane 238.23
    ethyl formate 807.84
    1,2-dichloroethane 1699.89
    n-hexanol 1452.08
    2-methoxyethanol 1792.52
    isobutyl acetate 479.0
    tetrachloromethane 927.85
    n-pentyl acetate 635.61
    transcutol 1745.85
    n-heptanol 608.72
    ethylbenzene 529.77
    MIBK 586.14
    2-propoxyethanol 1404.29
    tert-butanol 1627.56
    MTBE 1455.4
    2-butoxyethanol 718.69
    propionic acid 1013.75
    o-xylene 523.91
    formic acid 600.64
    diethyl ether 1306.57
    m-xylene 533.67
    p-xylene 723.31
    chlorobenzene 1235.77
    dimethyl carbonate 319.67
    n-octane 112.91
    formamide 559.26
    cyclopentanone 1519.66
    2-pentanone 825.72
    anisole 711.67
    cyclopentyl methyl ether 1204.77
    gamma-butyrolactone 1638.53
    1-methoxy-2-propanol 1189.74
    pyridine 1753.16
    3-pentanone 650.64
    furfural 1488.35
    n-dodecane 94.33
    diethylene glycol 856.88
    diisopropyl ether 388.71
    tert-amyl alcohol 1573.64
    acetylacetone 753.19
    n-hexadecane 104.69
    acetophenone 578.81
    methyl propionate 662.65
    isopentyl acetate 856.35
    trichloroethylene 3004.5
    n-nonanol 564.97
    cyclohexanol 1635.12
    benzyl alcohol 773.69
    2-ethylhexanol 732.92
    isooctanol 470.17
    dipropyl ether 665.61
    1,2-dichlorobenzene 994.9
    ethyl lactate 274.98
    propylene carbonate 1048.14
    n-methylformamide 936.36
    2-pentanol 1165.69
    n-pentane 419.77
    1-propoxy-2-propanol 869.43
    1-methoxy-2-propyl acetate 629.06
    2-(2-methoxypropoxy) propanol 535.04
    mesitylene 329.24
    ε-caprolactone 1389.14
    p-cymene 303.87
    epichlorohydrin 1775.39
    1,1,1-trichloroethane 1757.33
    2-aminoethanol 1000.13
    morpholine-4-carbaldehyde 1379.07
    sulfolane 1593.38
    2,2,4-trimethylpentane 208.9
    2-methyltetrahydrofuran 1960.66
    n-hexyl acetate 935.32
    isooctane 125.0
    2-(2-butoxyethoxy)ethanol 729.94
    sec-butyl acetate 431.0
    tert-butyl acetate 582.62
    decalin 257.77
    glycerin 668.7
    diglyme 1152.23
    acrylic acid 772.26
    isopropyl myristate 336.24
    n-butyric acid 1514.79
    acetyl acetate 580.47
    di(2-ethylhexyl) phthalate 359.25
    ethyl propionate 474.24
    nitromethane 1188.18
    1,2-diethoxyethane 796.0
    benzonitrile 1042.01
    trioctyl phosphate 257.07
    1-bromopropane 1627.77
    gamma-valerolactone 1773.22
    n-decanol 396.34
    triethyl phosphate 245.44
    4-methyl-2-pentanol 595.25
    propionitrile 1154.51
    vinylene carbonate 1063.77
    1,1,2-trichlorotrifluoroethane 1129.83
    DMS 527.91
    cumene 372.96
    2-octanol 482.41
    2-hexanone 678.49
    octyl acetate 449.86
    limonene 502.55
    1,2-dimethoxyethane 1696.2
    ethyl orthosilicate 266.13
    tributyl phosphate 314.92
    diacetone alcohol 587.06
    N,N-dimethylaniline 549.47
    acrylonitrile 1070.99
    aniline 1036.1
    1,3-propanediol 1196.81
    bromobenzene 1368.81
    dibromomethane 2922.02
    1,1,2,2-tetrachloroethane 2589.56
    2-methyl-cyclohexyl acetate 461.35
    tetrabutyl urea 401.83
    diisobutyl methanol 332.44
    2-phenylethanol 698.61
    styrene 671.1
    dioctyl adipate 427.9
    dimethyl sulfate 465.32
    ethyl butyrate 538.05
    methyl lactate 349.29
    butyl lactate 439.69
    diethyl carbonate 364.43
    propanediol butyl ether 655.52
    triethyl orthoformate 386.06
    p-tert-butyltoluene 294.59
    methyl 4-tert-butylbenzoate 531.65
    morpholine 2209.98
    tert-butylamine 1369.2
    n-dodecanol 297.6
    dimethoxymethane 1072.34
    ethylene carbonate 900.94
    cyrene 471.18
    2-ethoxyethyl acetate 628.6
    2-ethylhexyl acetate 665.64
    1,2,4-trichlorobenzene 1060.52
    4-methylpyridine 1756.56
    dibutyl ether 676.67
    2,6-dimethyl-4-heptanol 332.44
    DEF 1038.17
    dimethyl isosorbide 815.66
    tetrachloroethylene 1859.69
    eugenol 527.1
    triacetin 538.94
    span 80 596.4
    1,4-butanediol 648.59
    1,1-dichloroethane 1991.27
    2-methyl-1-pentanol 1247.94
    methyl formate 715.91
    2-methyl-1-butanol 1597.13
    n-decane 152.58
    butyronitrile 1506.12
    3,7-dimethyl-1-octanol 590.58
    1-chlorooctane 500.87
    1-chlorotetradecane 197.04
    n-nonane 164.99
    undecane 114.05
    tert-butylcyclohexane 230.2
    cyclooctane 195.13
    cyclopentanol 1620.68
    tetrahydropyran 2238.18
    tert-amyl methyl ether 989.78
    2,5,8-trioxanonane 784.15
    1-hexene 1109.38
    2-isopropoxyethanol 740.44
    2,2,2-trifluoroethanol 400.08
    methyl butyrate 745.96

    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