4-Butyl-2-methyloxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    84027-87-2

    Molecular formula
    C8H13NO

    SMILES
    CCCCC1=COC(=N1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 80.4%
    Vegetable 58.89%
    Nutty 49.66%
    Roasted 49.64%
    Fatty 48.95%
    Earthy 44.48%
    Meaty 41.75%
    Herbal 33.7%
    Burnt 32.68%
    Fruity 32.27%

     

    Flavor
    Green 56.11%
    Roasted 52.01%
    Earthy 47.3%
    Nutty 41.85%
    Vegetable 41.16%
    Burnt 38.74%
    Fatty 34.98%
    Meaty 33.83%
    Pepper 33.36%
    Musty 27.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.86 (neutral)

    Molecular weight
    139.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 67.16 ˚C est.

  • Synonyms

    • 4-Butyl-2-methyloxazole
    • 4-butyl-2-methyl-1,3-oxazole
    • 2-methyl-4-butyloxazole
    • SCHEMBL5536231
    • SCHEMBL5536236
    • SCHEMBL5540344
    • CHEBI:179649
    • WLQJVRMHBOMLBM-UHFFFAOYSA-N
    • DTXSID601313876
    • 84027-87-2
    • 84027-87-2

  • Applications

    4-Butyl-2-methyloxazole (CAS 84027-87-2) is a heterocyclic oxazole derivative commonly employed as a synthetic intermediate in organic chemistry. It is typically evaluated as a building block for oxazole-containing compounds in pharmaceutical research and development, and can serve as a fragrance intermediate or odorant component in perfumery, with potential use in cosmetics/personal care formulations. In polymer and materials science, it may function as a precursor for oxazole-containing polymers or specialty materials; in electronics and coatings, it is explored as a component in dye chemistry or functional oligomers. Overall, its use is governed by formulation needs and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1580.78
    methanol 2440.35
    isopropanol 1036.41
    water 5.14
    ethyl acetate 476.59
    n-propanol 1106.09
    acetone 870.84
    n-butanol 967.62
    acetonitrile 524.95
    DMF 1497.09
    toluene 343.03
    isobutanol 849.76
    1,4-dioxane 1016.28
    methyl acetate 422.37
    THF 1336.12
    2-butanone 534.97
    n-pentanol 642.6
    sec-butanol 832.69
    n-hexane 94.0
    ethylene glycol 440.89
    NMP 1025.41
    cyclohexane 177.58
    DMSO 1205.93
    n-butyl acetate 437.37
    n-octanol 267.09
    chloroform 2162.69
    n-propyl acetate 241.65
    acetic acid 1105.16
    dichloromethane 1566.28
    cyclohexanone 926.33
    propylene glycol 590.62
    isopropyl acetate 321.77
    DMAc 964.0
    2-ethoxyethanol 571.57
    isopentanol 783.3
    n-heptane 52.82
    ethyl formate 412.88
    1,2-dichloroethane 741.0
    n-hexanol 647.42
    2-methoxyethanol 1093.86
    isobutyl acetate 214.26
    tetrachloromethane 326.79
    n-pentyl acetate 245.7
    transcutol 1213.84
    n-heptanol 249.91
    ethylbenzene 157.15
    MIBK 303.08
    2-propoxyethanol 781.99
    tert-butanol 1023.68
    MTBE 662.12
    2-butoxyethanol 369.26
    propionic acid 665.44
    o-xylene 208.67
    formic acid 459.65
    diethyl ether 516.46
    m-xylene 221.69
    p-xylene 230.88
    chlorobenzene 514.18
    dimethyl carbonate 189.64
    n-octane 25.66
    formamide 388.76
    cyclopentanone 950.07
    2-pentanone 448.44
    anisole 309.55
    cyclopentyl methyl ether 556.2
    gamma-butyrolactone 982.93
    1-methoxy-2-propanol 748.08
    pyridine 902.43
    3-pentanone 326.88
    furfural 858.73
    n-dodecane 27.98
    diethylene glycol 604.51
    diisopropyl ether 153.67
    tert-amyl alcohol 738.76
    acetylacetone 496.31
    n-hexadecane 31.33
    acetophenone 268.52
    methyl propionate 362.44
    isopentyl acetate 383.7
    trichloroethylene 1448.96
    n-nonanol 218.72
    cyclohexanol 744.77
    benzyl alcohol 362.02
    2-ethylhexanol 293.03
    isooctanol 192.47
    dipropyl ether 243.06
    1,2-dichlorobenzene 423.47
    ethyl lactate 161.2
    propylene carbonate 565.83
    n-methylformamide 606.63
    2-pentanol 533.67
    n-pentane 95.47
    1-propoxy-2-propanol 489.3
    1-methoxy-2-propyl acetate 354.28
    2-(2-methoxypropoxy) propanol 329.17
    mesitylene 141.63
    ε-caprolactone 683.34
    p-cymene 112.21
    epichlorohydrin 899.17
    1,1,1-trichloroethane 805.63
    2-aminoethanol 713.04
    morpholine-4-carbaldehyde 838.01
    sulfolane 1044.08
    2,2,4-trimethylpentane 64.41
    2-methyltetrahydrofuran 928.15
    n-hexyl acetate 367.3
    isooctane 41.97
    2-(2-butoxyethoxy)ethanol 432.27
    sec-butyl acetate 185.04
    tert-butyl acetate 324.77
    decalin 72.06
    glycerin 594.76
    diglyme 636.29
    acrylic acid 582.35
    isopropyl myristate 143.84
    n-butyric acid 946.63
    acetyl acetate 342.99
    di(2-ethylhexyl) phthalate 183.88
    ethyl propionate 205.22
    nitromethane 832.94
    1,2-diethoxyethane 381.07
    benzonitrile 471.18
    trioctyl phosphate 123.84
    1-bromopropane 570.86
    gamma-valerolactone 1066.03
    n-decanol 162.94
    triethyl phosphate 119.67
    4-methyl-2-pentanol 280.02
    propionitrile 558.71
    vinylene carbonate 563.39
    1,1,2-trichlorotrifluoroethane 740.05
    DMS 262.34
    cumene 118.66
    2-octanol 177.7
    2-hexanone 300.6
    octyl acetate 192.33
    limonene 189.1
    1,2-dimethoxyethane 833.54
    ethyl orthosilicate 126.18
    tributyl phosphate 148.92
    diacetone alcohol 378.52
    N,N-dimethylaniline 228.81
    acrylonitrile 611.09
    aniline 520.41
    1,3-propanediol 784.95
    bromobenzene 545.16
    dibromomethane 1029.39
    1,1,2,2-tetrachloroethane 1226.36
    2-methyl-cyclohexyl acetate 216.86
    tetrabutyl urea 188.9
    diisobutyl methanol 153.32
    2-phenylethanol 346.1
    styrene 218.96
    dioctyl adipate 206.74
    dimethyl sulfate 320.35
    ethyl butyrate 222.83
    methyl lactate 259.01
    butyl lactate 218.82
    diethyl carbonate 164.31
    propanediol butyl ether 392.29
    triethyl orthoformate 173.64
    p-tert-butyltoluene 111.79
    methyl 4-tert-butylbenzoate 276.66
    morpholine 1184.79
    tert-butylamine 676.16
    n-dodecanol 124.59
    dimethoxymethane 604.9
    ethylene carbonate 477.08
    cyrene 284.74
    2-ethoxyethyl acetate 302.65
    2-ethylhexyl acetate 283.32
    1,2,4-trichlorobenzene 488.72
    4-methylpyridine 848.62
    dibutyl ether 224.03
    2,6-dimethyl-4-heptanol 153.32
    DEF 561.09
    dimethyl isosorbide 447.96
    tetrachloroethylene 859.57
    eugenol 293.58
    triacetin 291.59
    span 80 347.57
    1,4-butanediol 370.25
    1,1-dichloroethane 926.36
    2-methyl-1-pentanol 543.24
    methyl formate 450.79
    2-methyl-1-butanol 730.9
    n-decane 41.79
    butyronitrile 670.85
    3,7-dimethyl-1-octanol 242.97
    1-chlorooctane 157.07
    1-chlorotetradecane 69.14
    n-nonane 40.45
    undecane 33.04
    tert-butylcyclohexane 69.75
    cyclooctane 44.38
    cyclopentanol 776.03
    tetrahydropyran 994.89
    tert-amyl methyl ether 403.31
    2,5,8-trioxanonane 481.66
    1-hexene 319.23
    2-isopropoxyethanol 378.11
    2,2,2-trifluoroethanol 286.34
    methyl butyrate 319.04

    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