2,5-Dibutyl-4-methyl-1,3-oxazole

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  • Identifiers

    CAS number
    88300-08-7

    Molecular formula
    C12H21NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 63.02%
    Earthy 43.39%
    Vegetable 42.82%
    Roasted 42.04%
    Fatty 40.79%
    Nutty 40.48%
    Fruity 37.33%
    Herbal 36.64%
    Burnt 32.84%
    Musty 29.76%

     

    Flavor
    Green 62.69%
    Earthy 47.97%
    Roasted 38.63%
    Pepper 37.61%
    Herbal 37.23%
    Vegetable 35.46%
    Burnt 33.52%
    Fatty 32.7%
    Nutty 32.38%
    Spicy 29.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.73 (neutral)

    Molecular weight
    195.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point

    • 110.42 ˚C est.

  • Synonyms

    • 2,5-Dibutyl-4-methyl-1,3-oxazole
    • 88300-08-7
    • 2,5-Dibutyl-4-methyloxazole
    • Oxazole, 2,5-dibutyl-4-methyl-
    • DES3QTM2B4
    • SCHEMBL20269626
    • DTXSID20829154
    • 88300-08-7

  • Applications

    Chemical name: 2,5-Dibutyl-4-methyl-1,3-oxazole; CAS number: 88300-08-7 may be used as a synthetic intermediate in pharmaceutical and agrochemical synthesis, and as a building block for heterocyclic compounds in medicinal chemistry research. It can be evaluated for use in polymer and materials science as a precursor to oxazole-containing polymers or functional additives. In perfumery, it may be used as an odorant or fragrance fixative in fragrance formulations. It may also serve as an intermediate in cosmetics/personal care ingredient synthesis and in broader industrial manufacturing as a precursor for specialty chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6356.04
    methanol 6647.39
    isopropanol 5442.74
    water 0.88
    ethyl acetate 5700.15
    n-propanol 5653.92
    acetone 6884.48
    n-butanol 5844.52
    acetonitrile 4223.29
    DMF 8430.47
    toluene 4505.69
    isobutanol 5216.35
    1,4-dioxane 7257.39
    methyl acetate 3932.15
    THF 9839.79
    2-butanone 5749.6
    n-pentanol 4039.69
    sec-butanol 5369.99
    n-hexane 1897.6
    ethylene glycol 484.04
    NMP 5419.55
    cyclohexane 3082.2
    DMSO 4609.38
    n-butyl acetate 6844.63
    n-octanol 2040.27
    chloroform 17015.08
    n-propyl acetate 3820.14
    acetic acid 3642.64
    dichloromethane 15118.99
    cyclohexanone 10043.64
    propylene glycol 923.31
    isopropyl acetate 4272.39
    DMAc 5600.14
    2-ethoxyethanol 3160.79
    isopentanol 5260.89
    n-heptane 787.19
    ethyl formate 3913.25
    1,2-dichloroethane 8663.22
    n-hexanol 4669.3
    2-methoxyethanol 4741.42
    isobutyl acetate 2849.32
    tetrachloromethane 3041.39
    n-pentyl acetate 3329.24
    transcutol 6127.81
    n-heptanol 1853.06
    ethylbenzene 2363.21
    MIBK 3361.95
    2-propoxyethanol 4525.73
    tert-butanol 4859.94
    MTBE 6615.11
    2-butoxyethanol 2454.6
    propionic acid 2793.77
    o-xylene 2030.83
    formic acid 811.7
    diethyl ether 6730.35
    m-xylene 2264.53
    p-xylene 3355.53
    chlorobenzene 5502.84
    dimethyl carbonate 1380.95
    n-octane 391.3
    formamide 1132.23
    cyclopentanone 7915.98
    2-pentanone 5521.33
    anisole 3011.04
    cyclopentyl methyl ether 5146.75
    gamma-butyrolactone 6805.31
    1-methoxy-2-propanol 3718.69
    pyridine 8996.45
    3-pentanone 3837.68
    furfural 5260.51
    n-dodecane 277.83
    diethylene glycol 1821.85
    diisopropyl ether 2023.22
    tert-amyl alcohol 4702.97
    acetylacetone 4605.34
    n-hexadecane 325.11
    acetophenone 2649.68
    methyl propionate 3618.34
    isopentyl acetate 5677.36
    trichloroethylene 14538.62
    n-nonanol 1666.31
    cyclohexanol 5617.71
    benzyl alcohol 2646.97
    2-ethylhexanol 2666.75
    isooctanol 1520.45
    dipropyl ether 3110.53
    1,2-dichlorobenzene 3807.59
    ethyl lactate 1022.12
    propylene carbonate 4382.21
    n-methylformamide 3141.39
    2-pentanol 4042.23
    n-pentane 1350.53
    1-propoxy-2-propanol 3295.59
    1-methoxy-2-propyl acetate 3271.68
    2-(2-methoxypropoxy) propanol 1551.61
    mesitylene 1337.35
    ε-caprolactone 7496.41
    p-cymene 1093.74
    epichlorohydrin 8138.83
    1,1,1-trichloroethane 8301.3
    2-aminoethanol 1421.75
    morpholine-4-carbaldehyde 4870.97
    sulfolane 5272.07
    2,2,4-trimethylpentane 574.23
    2-methyltetrahydrofuran 8664.37
    n-hexyl acetate 4034.28
    isooctane 436.33
    2-(2-butoxyethoxy)ethanol 2286.43
    sec-butyl acetate 2710.78
    tert-butyl acetate 3416.03
    decalin 959.13
    glycerin 891.06
    diglyme 4363.74
    acrylic acid 2018.59
    isopropyl myristate 1285.22
    n-butyric acid 6606.26
    acetyl acetate 3016.72
    di(2-ethylhexyl) phthalate 1050.76
    ethyl propionate 2978.64
    nitromethane 4217.36
    1,2-diethoxyethane 4362.93
    benzonitrile 4320.48
    trioctyl phosphate 790.66
    1-bromopropane 7132.38
    gamma-valerolactone 8605.19
    n-decanol 1110.0
    triethyl phosphate 997.18
    4-methyl-2-pentanol 2033.65
    propionitrile 4886.16
    vinylene carbonate 3928.28
    1,1,2-trichlorotrifluoroethane 3916.95
    DMS 2234.37
    cumene 1367.78
    2-octanol 1550.17
    2-hexanone 4047.32
    octyl acetate 1633.1
    limonene 1909.01
    1,2-dimethoxyethane 7343.04
    ethyl orthosilicate 1111.61
    tributyl phosphate 1115.05
    diacetone alcohol 2450.97
    N,N-dimethylaniline 2054.49
    acrylonitrile 4397.54
    aniline 3758.38
    1,3-propanediol 2666.21
    bromobenzene 6578.03
    dibromomethane 10685.48
    1,1,2,2-tetrachloroethane 11461.33
    2-methyl-cyclohexyl acetate 1977.92
    tetrabutyl urea 1395.29
    diisobutyl methanol 1232.02
    2-phenylethanol 2633.78
    styrene 3242.32
    dioctyl adipate 1580.75
    dimethyl sulfate 1507.49
    ethyl butyrate 3348.67
    methyl lactate 1099.12
    butyl lactate 1770.91
    diethyl carbonate 1960.61
    propanediol butyl ether 1799.08
    triethyl orthoformate 1957.49
    p-tert-butyltoluene 1007.83
    methyl 4-tert-butylbenzoate 1723.28
    morpholine 8821.79
    tert-butylamine 3929.22
    n-dodecanol 812.37
    dimethoxymethane 4495.12
    ethylene carbonate 3826.04
    cyrene 1237.48
    2-ethoxyethyl acetate 3081.95
    2-ethylhexyl acetate 4302.14
    1,2,4-trichlorobenzene 3857.8
    4-methylpyridine 9955.75
    dibutyl ether 3239.76
    2,6-dimethyl-4-heptanol 1232.02
    DEF 6206.18
    dimethyl isosorbide 2383.48
    tetrachloroethylene 7764.63
    eugenol 1729.93
    triacetin 1907.54
    span 80 1740.42
    1,4-butanediol 1250.39
    1,1-dichloroethane 9855.71
    2-methyl-1-pentanol 3958.29
    methyl formate 2454.57
    2-methyl-1-butanol 5186.26
    n-decane 508.23
    butyronitrile 7139.8
    3,7-dimethyl-1-octanol 1884.43
    1-chlorooctane 1802.56
    1-chlorotetradecane 613.24
    n-nonane 535.35
    undecane 355.3
    tert-butylcyclohexane 778.3
    cyclooctane 763.45
    cyclopentanol 4536.19
    tetrahydropyran 11210.75
    tert-amyl methyl ether 4062.1
    2,5,8-trioxanonane 2469.57
    1-hexene 5208.62
    2-isopropoxyethanol 2315.93
    2,2,2-trifluoroethanol 854.39
    methyl butyrate 5107.08

    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