4-Butyloxazole

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  • Identifiers

    CAS number
    79886-36-5

    Molecular formula
    C7H11NO

    SMILES
    CCCCC1=COC=N1

    Safety labels

  • Odor profile

    Fragrance
    Green 83.04%
    Vegetable 58.23%
    Fatty 50.87%
    Earthy 45.4%
    Nutty 45.02%
    Herbal 40.87%
    Roasted 38.51%
    Meaty 35.96%
    Musty 32.64%
    Sweet 29.59%

     

    Flavor
    Green 80.09%
    Fatty 52.55%
    Nutty 51.25%
    Earthy 50.62%
    Vegetable 47.85%
    Pepper 42.39%
    Fruity 40.58%
    Roasted 37.91%
    Herbal 35.2%
    Mushroom 33.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.16 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point

    • 60.16 ˚C est.

  • Synonyms

    • 4-butyloxazole
    • 4-butyl-1,3-oxazole
    • 79886-36-5
    • RefChem:98255
    • SCHEMBL4595008
    • SCHEMBL5537774
    • SCHEMBL7073457
    • CHEBI:190146
    • DTXSID301317205
    • 79886-36-5

  • Applications

    4-Butyloxazole (CAS 79886-36-5) is primarily used as an organic synthesis intermediate and building block in chemical development. In practice, it is often employed in pharmaceutical and agrochemical R&D to assemble heterocyclic scaffolds for potential active ingredients. It also acts as a precursor for specialty chemicals in materials science, including oxazole-containing polymers and dyes. Additionally, it appears in exploratory work for electronics and optoelectronics applications, where oxazole motifs are studied for functional properties. In research settings, it may serve as a versatile starting material for the synthesis of more complex molecules via standard cross-coupling and functionalization reactions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 754.43
    methanol 809.42
    isopropanol 533.55
    water 1.45
    ethyl acetate 286.51
    n-propanol 549.63
    acetone 558.22
    n-butanol 501.7
    acetonitrile 340.91
    DMF 1410.39
    toluene 149.83
    isobutanol 425.98
    1,4-dioxane 463.01
    methyl acetate 299.44
    THF 664.23
    2-butanone 378.35
    n-pentanol 300.4
    sec-butanol 409.5
    n-hexane 21.89
    ethylene glycol 236.72
    NMP 728.22
    cyclohexane 63.02
    DMSO 1232.68
    n-butyl acetate 329.25
    n-octanol 151.95
    chloroform 1187.1
    n-propyl acetate 170.46
    acetic acid 767.05
    dichloromethane 1310.99
    cyclohexanone 635.39
    propylene glycol 313.66
    isopropyl acetate 159.38
    DMAc 598.0
    2-ethoxyethanol 304.02
    isopentanol 368.2
    n-heptane 35.98
    ethyl formate 318.24
    1,2-dichloroethane 631.22
    n-hexanol 378.3
    2-methoxyethanol 658.08
    isobutyl acetate 122.34
    tetrachloromethane 164.26
    n-pentyl acetate 163.69
    transcutol 816.32
    n-heptanol 152.78
    ethylbenzene 80.39
    MIBK 168.5
    2-propoxyethanol 468.82
    tert-butanol 509.56
    MTBE 239.91
    2-butoxyethanol 241.98
    propionic acid 470.22
    o-xylene 123.34
    formic acid 239.24
    diethyl ether 190.25
    m-xylene 120.84
    p-xylene 123.86
    chlorobenzene 325.63
    dimethyl carbonate 136.69
    n-octane 13.28
    formamide 312.97
    cyclopentanone 677.37
    2-pentanone 290.7
    anisole 191.8
    cyclopentyl methyl ether 248.29
    gamma-butyrolactone 691.28
    1-methoxy-2-propanol 484.16
    pyridine 537.49
    3-pentanone 184.7
    furfural 741.43
    n-dodecane 15.52
    diethylene glycol 352.28
    diisopropyl ether 59.37
    tert-amyl alcohol 373.3
    acetylacetone 314.99
    n-hexadecane 17.28
    acetophenone 210.37
    methyl propionate 259.5
    isopentyl acetate 277.35
    trichloroethylene 1255.46
    n-nonanol 123.62
    cyclohexanol 385.92
    benzyl alcohol 231.06
    2-ethylhexanol 209.9
    isooctanol 120.01
    dipropyl ether 156.75
    1,2-dichlorobenzene 315.33
    ethyl lactate 126.26
    propylene carbonate 461.76
    n-methylformamide 558.14
    2-pentanol 260.22
    n-pentane 30.39
    1-propoxy-2-propanol 363.0
    1-methoxy-2-propyl acetate 265.0
    2-(2-methoxypropoxy) propanol 234.17
    mesitylene 81.01
    ε-caprolactone 442.31
    p-cymene 92.4
    epichlorohydrin 712.96
    1,1,1-trichloroethane 544.15
    2-aminoethanol 430.58
    morpholine-4-carbaldehyde 603.06
    sulfolane 849.12
    2,2,4-trimethylpentane 27.16
    2-methyltetrahydrofuran 447.04
    n-hexyl acetate 234.97
    isooctane 20.13
    2-(2-butoxyethoxy)ethanol 306.02
    sec-butyl acetate 105.78
    tert-butyl acetate 176.1
    decalin 30.78
    glycerin 350.51
    diglyme 498.05
    acrylic acid 449.89
    isopropyl myristate 94.73
    n-butyric acid 631.48
    acetyl acetate 188.66
    di(2-ethylhexyl) phthalate 128.35
    ethyl propionate 142.85
    nitromethane 789.19
    1,2-diethoxyethane 222.87
    benzonitrile 360.6
    trioctyl phosphate 92.7
    1-bromopropane 340.3
    gamma-valerolactone 722.36
    n-decanol 94.35
    triethyl phosphate 99.76
    4-methyl-2-pentanol 135.8
    propionitrile 348.67
    vinylene carbonate 472.97
    1,1,2-trichlorotrifluoroethane 575.25
    DMS 179.62
    cumene 70.89
    2-octanol 99.46
    2-hexanone 184.27
    octyl acetate 128.18
    limonene 149.62
    1,2-dimethoxyethane 438.04
    ethyl orthosilicate 94.0
    tributyl phosphate 105.67
    diacetone alcohol 265.88
    N,N-dimethylaniline 152.23
    acrylonitrile 519.96
    aniline 279.69
    1,3-propanediol 467.88
    bromobenzene 341.3
    dibromomethane 786.29
    1,1,2,2-tetrachloroethane 914.02
    2-methyl-cyclohexyl acetate 164.83
    tetrabutyl urea 151.72
    diisobutyl methanol 116.04
    2-phenylethanol 248.03
    styrene 108.92
    dioctyl adipate 160.03
    dimethyl sulfate 251.83
    ethyl butyrate 199.12
    methyl lactate 202.21
    butyl lactate 164.61
    diethyl carbonate 146.77
    propanediol butyl ether 278.37
    triethyl orthoformate 142.39
    p-tert-butyltoluene 85.55
    methyl 4-tert-butylbenzoate 221.13
    morpholine 636.22
    tert-butylamine 315.18
    n-dodecanol 75.94
    dimethoxymethane 400.08
    ethylene carbonate 355.87
    cyrene 214.18
    2-ethoxyethyl acetate 208.21
    2-ethylhexyl acetate 201.45
    1,2,4-trichlorobenzene 367.33
    4-methylpyridine 481.62
    dibutyl ether 125.29
    2,6-dimethyl-4-heptanol 116.04
    DEF 401.18
    dimethyl isosorbide 332.5
    tetrachloroethylene 569.94
    eugenol 225.77
    triacetin 221.1
    span 80 251.85
    1,4-butanediol 202.44
    1,1-dichloroethane 608.21
    2-methyl-1-pentanol 246.33
    methyl formate 399.42
    2-methyl-1-butanol 352.71
    n-decane 20.42
    butyronitrile 422.65
    3,7-dimethyl-1-octanol 146.73
    1-chlorooctane 90.17
    1-chlorotetradecane 42.81
    n-nonane 19.27
    undecane 17.24
    tert-butylcyclohexane 30.38
    cyclooctane 17.26
    cyclopentanol 424.64
    tetrahydropyran 465.38
    tert-amyl methyl ether 165.94
    2,5,8-trioxanonane 376.36
    1-hexene 106.9
    2-isopropoxyethanol 206.39
    2,2,2-trifluoroethanol 184.95
    methyl butyrate 233.97

    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