4,5-Dimethyloxazole

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  • Identifiers

    CAS number
    20662-83-3

    Molecular formula
    C5H7NO

    SMILES
    CC1=C(OC=N1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 73.17%
    Roasted 70.21%
    Green 70.05%
    Vegetable 53.05%
    Meaty 52.67%
    Sweet 52.12%
    Musty 51.81%
    Burnt 49.08%
    Cocoa 47.96%
    Earthy 47.18%

     

    Flavor
    Nutty 71.06%
    Roasted 56.2%
    Coffee 46.47%
    Vegetable 46.13%
    Green 45.95%
    Cocoa 43.2%
    Earthy 42.02%
    Burnt 41.05%
    Musty 37.14%
    Roast 34.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.92 (neutral)

    Molecular weight
    97.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    143°C

    Flash point

    • 24.59 ˚C est.

  • Synonyms

    • 4,5-DIMETHYLOXAZOLE
    • 4,5-Dimethyl-1,3-oxazole
    • Oxazole, 4,5-dimethyl-
    • 4,5-dimethyl-oxazole
    • 5-Methyl-4-methyloxazole
    • DTXSID30174703
    • RefChem:96541
    • DTXCID2097194
    • 853-563-7
    • YVORRVFKHZLJGZ-UHFFFAOYSA-N
    • 20662-83-3
    • MFCD11110236
    • SCHEMBL183358
    • SCHEMBL428605
    • orb3023510
    • SCHEMBL3217955
    • SCHEMBL7046614
    • 4,5-Dimethyl-1,3-oxazole #
    • CHEBI:192309
    • AKOS006307937
    • AB63543
    • AS-57637
    • SY138492
    • CS-0196982
    • A10890
    • EN300-100643
    • F440499
    • 20662-83-3

  • Applications

    4,5-Dimethyloxazole (CAS 20662-83-3) is primarily used as an organic synthesis building block and intermediate for constructing oxazole-containing frameworks. In pharmaceutical and medicinal chemistry, it serves as a starting material or scaffold for the synthesis of drug-like oxazole derivatives. In agrochemical research, it acts as a precursor for heterocyclic agrochemicals. It is also employed in academic and industrial R&D to prepare diverse oxazole compounds, enabling structure–activity exploration. Additionally, it can function as a precursor in the development of advanced materials and polymers bearing oxazole units. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1480.48
    methanol 2537.58
    isopropanol 1219.85
    water 423.04
    ethyl acetate 326.38
    n-propanol 1108.89
    acetone 693.21
    n-butanol 887.84
    acetonitrile 744.79
    DMF 1511.22
    toluene 254.29
    isobutanol 1027.05
    1,4-dioxane 709.76
    methyl acetate 519.38
    THF 678.43
    2-butanone 554.01
    n-pentanol 481.98
    sec-butanol 1119.2
    n-hexane 56.12
    ethylene glycol 456.51
    NMP 747.84
    cyclohexane 57.11
    DMSO 767.92
    n-butyl acetate 65.57
    n-octanol 118.31
    chloroform 1263.2
    n-propyl acetate 97.48
    acetic acid 730.53
    dichloromethane 1202.21
    cyclohexanone 384.92
    propylene glycol 550.22
    isopropyl acetate 168.22
    DMAc 1241.84
    2-ethoxyethanol 661.58
    isopentanol 664.61
    n-heptane 23.64
    ethyl formate 333.01
    1,2-dichloroethane 550.84
    n-hexanol 190.81
    2-methoxyethanol 1318.22
    isobutyl acetate 63.78
    tetrachloromethane 334.78
    n-pentyl acetate 93.72
    transcutol 481.22
    n-heptanol 136.29
    ethylbenzene 102.53
    MIBK 179.07
    2-propoxyethanol 297.71
    tert-butanol 1025.73
    MTBE 586.05
    2-butoxyethanol 226.9
    propionic acid 590.66
    o-xylene 185.99
    formic acid 827.11
    diethyl ether 522.52
    m-xylene 139.07
    p-xylene 173.36
    chlorobenzene 293.89
    dimethyl carbonate 167.67
    n-octane 13.14
    formamide 1335.04
    cyclopentanone 501.99
    2-pentanone 327.17
    anisole 263.82
    cyclopentyl methyl ether 336.68
    gamma-butyrolactone 506.7
    1-methoxy-2-propanol 808.37
    pyridine 682.91
    3-pentanone 273.33
    furfural 594.21
    n-dodecane 10.59
    diethylene glycol 267.03
    diisopropyl ether 100.47
    tert-amyl alcohol 929.08
    acetylacetone 251.23
    n-hexadecane 11.49
    acetophenone 199.09
    methyl propionate 344.12
    isopentyl acetate 71.58
    trichloroethylene 927.15
    n-nonanol 104.98
    cyclohexanol 473.92
    benzyl alcohol 307.92
    2-ethylhexanol 88.78
    isooctanol 111.53
    dipropyl ether 83.25
    1,2-dichlorobenzene 232.78
    ethyl lactate 79.18
    propylene carbonate 217.85
    n-methylformamide 1088.71
    2-pentanol 550.22
    n-pentane 93.98
    1-propoxy-2-propanol 169.53
    1-methoxy-2-propyl acetate 101.36
    2-(2-methoxypropoxy) propanol 145.68
    mesitylene 73.87
    ε-caprolactone 306.47
    p-cymene 46.73
    epichlorohydrin 709.85
    1,1,1-trichloroethane 579.2
    2-aminoethanol 903.6
    morpholine-4-carbaldehyde 672.0
    sulfolane 460.41
    2,2,4-trimethylpentane 49.53
    2-methyltetrahydrofuran 591.6
    n-hexyl acetate 127.49
    isooctane 21.59
    2-(2-butoxyethoxy)ethanol 200.9
    sec-butyl acetate 76.16
    tert-butyl acetate 154.41
    decalin 27.2
    glycerin 563.54
    diglyme 391.66
    acrylic acid 504.67
    isopropyl myristate 47.64
    n-butyric acid 485.83
    acetyl acetate 140.33
    di(2-ethylhexyl) phthalate 57.86
    ethyl propionate 106.98
    nitromethane 975.76
    1,2-diethoxyethane 147.34
    benzonitrile 263.53
    trioctyl phosphate 37.43
    1-bromopropane 414.87
    gamma-valerolactone 631.67
    n-decanol 71.71
    triethyl phosphate 46.01
    4-methyl-2-pentanol 226.44
    propionitrile 563.95
    vinylene carbonate 242.75
    1,1,2-trichlorotrifluoroethane 565.46
    DMS 106.37
    cumene 76.64
    2-octanol 106.58
    2-hexanone 144.55
    octyl acetate 64.22
    limonene 63.0
    1,2-dimethoxyethane 597.25
    ethyl orthosilicate 49.6
    tributyl phosphate 42.88
    diacetone alcohol 266.78
    N,N-dimethylaniline 204.63
    acrylonitrile 649.28
    aniline 490.0
    1,3-propanediol 830.53
    bromobenzene 250.92
    dibromomethane 727.83
    1,1,2,2-tetrachloroethane 724.49
    2-methyl-cyclohexyl acetate 63.22
    tetrabutyl urea 60.4
    diisobutyl methanol 57.01
    2-phenylethanol 157.52
    styrene 135.58
    dioctyl adipate 61.83
    dimethyl sulfate 279.47
    ethyl butyrate 60.88
    methyl lactate 210.04
    butyl lactate 80.93
    diethyl carbonate 48.38
    propanediol butyl ether 188.25
    triethyl orthoformate 57.04
    p-tert-butyltoluene 48.61
    methyl 4-tert-butylbenzoate 147.59
    morpholine 956.86
    tert-butylamine 696.91
    n-dodecanol 50.6
    dimethoxymethane 650.95
    ethylene carbonate 187.32
    cyrene 159.46
    2-ethoxyethyl acetate 138.76
    2-ethylhexyl acetate 55.37
    1,2,4-trichlorobenzene 283.25
    4-methylpyridine 676.9
    dibutyl ether 86.9
    2,6-dimethyl-4-heptanol 57.01
    DEF 471.37
    dimethyl isosorbide 181.57
    tetrachloroethylene 592.24
    eugenol 153.35
    triacetin 112.58
    span 80 122.14
    1,4-butanediol 342.07
    1,1-dichloroethane 769.01
    2-methyl-1-pentanol 381.8
    methyl formate 614.18
    2-methyl-1-butanol 797.47
    n-decane 17.96
    butyronitrile 498.97
    3,7-dimethyl-1-octanol 102.68
    1-chlorooctane 61.15
    1-chlorotetradecane 25.84
    n-nonane 16.97
    undecane 13.18
    tert-butylcyclohexane 31.85
    cyclooctane 17.54
    cyclopentanol 577.42
    tetrahydropyran 521.34
    tert-amyl methyl ether 393.51
    2,5,8-trioxanonane 244.44
    1-hexene 160.97
    2-isopropoxyethanol 348.26
    2,2,2-trifluoroethanol 390.86
    methyl butyrate 153.47

    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