Oxazole, 4,5-dihydro-2,5-dimethyl-

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  • Identifiers

    CAS number
    6159-22-4

    Molecular formula
    C5H9NO

    SMILES
    CC1CN=C(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 70.44%
    Roasted 55.13%
    Green 54.64%
    Vegetable 54.61%
    Meaty 47.01%
    Musty 46.61%
    Cocoa 43.48%
    Sweet 41.7%
    Earthy 38.3%
    Woody 35.39%

     

    Flavor
    Green 55.94%
    Nutty 53.5%
    Caramel 39.26%
    Vegetable 38.06%
    Earthy 37.51%
    Musty 37.39%
    Potato 36.24%
    Roasted 32.96%
    Raw 27.53%
    Fruity 25.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.33 (neutral)

    Molecular weight
    99.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    137°C

    Flash point

    • 31.4 ˚C est.

  • Synonyms

    • Oxazole, 4,5-dihydro-2,5-dimethyl-
    • 6159-22-4
    • 2,5-Dimethyl-4,5-dihydro-1,3-oxazole
    • 2,5-Dimethyl-2-oxazoline
    • 2-Oxazoline, 2,5-dimethyl-
    • SCHEMBL762030
    • DTXSID50337595
    • DXPIUHXKXUKZDK-UHFFFAOYSA-N
    • 2,5-Dimethyl-4,5-dihydro-1,3-oxazole #
    • 6159-22-4

  • Applications

    Oxazole, 4,5-dihydro-2,5-dimethyl- (CAS 6159-22-4) is commonly regarded as a versatile heterocyclic building block and intermediate for organic synthesis; in pharmaceutical and agrochemical development, it is used as an intermediate for the synthesis of complex compounds and provides a platform for heterocyclic libraries in drug research; it can also serve as a precursor or component for specialty polymers and coatings in materials applications; it is sometimes evaluated for fragrance and odorant applications, and may act as a precursor for electronic materials and pigments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 683.2
    methanol 1050.69
    isopropanol 444.2
    water 119.44
    ethyl acetate 335.74
    n-propanol 439.81
    acetone 526.6
    n-butanol 371.18
    acetonitrile 539.92
    DMF 676.59
    toluene 226.49
    isobutanol 320.34
    1,4-dioxane 554.01
    methyl acetate 386.78
    THF 632.84
    2-butanone 377.95
    n-pentanol 211.3
    sec-butanol 370.86
    n-hexane 35.72
    ethylene glycol 306.84
    NMP 733.82
    cyclohexane 53.21
    DMSO 616.23
    n-butyl acetate 109.67
    n-octanol 99.99
    chloroform 1488.97
    n-propyl acetate 108.39
    acetic acid 926.5
    dichloromethane 1276.56
    cyclohexanone 380.66
    propylene glycol 315.21
    isopropyl acetate 170.5
    DMAc 746.33
    2-ethoxyethanol 351.64
    isopentanol 258.81
    n-heptane 22.2
    ethyl formate 240.44
    1,2-dichloroethane 458.61
    n-hexanol 165.58
    2-methoxyethanol 728.75
    isobutyl acetate 72.37
    tetrachloromethane 265.25
    n-pentyl acetate 99.61
    transcutol 708.95
    n-heptanol 81.5
    ethylbenzene 68.93
    MIBK 131.86
    2-propoxyethanol 334.26
    tert-butanol 387.59
    MTBE 262.42
    2-butoxyethanol 171.22
    propionic acid 436.0
    o-xylene 138.59
    formic acid 669.96
    diethyl ether 316.79
    m-xylene 126.73
    p-xylene 99.23
    chlorobenzene 293.46
    dimethyl carbonate 127.96
    n-octane 9.81
    formamide 620.78
    cyclopentanone 475.25
    2-pentanone 247.23
    anisole 183.8
    cyclopentyl methyl ether 287.86
    gamma-butyrolactone 545.82
    1-methoxy-2-propanol 477.1
    pyridine 491.42
    3-pentanone 220.55
    furfural 596.71
    n-dodecane 10.28
    diethylene glycol 336.25
    diisopropyl ether 75.09
    tert-amyl alcohol 331.05
    acetylacetone 288.03
    n-hexadecane 11.27
    acetophenone 152.08
    methyl propionate 292.27
    isopentyl acetate 95.38
    trichloroethylene 888.59
    n-nonanol 88.05
    cyclohexanol 282.65
    benzyl alcohol 183.73
    2-ethylhexanol 83.42
    isooctanol 63.01
    dipropyl ether 88.07
    1,2-dichlorobenzene 233.52
    ethyl lactate 88.13
    propylene carbonate 256.99
    n-methylformamide 492.89
    2-pentanol 218.99
    n-pentane 49.21
    1-propoxy-2-propanol 196.21
    1-methoxy-2-propyl acetate 155.45
    2-(2-methoxypropoxy) propanol 178.38
    mesitylene 67.08
    ε-caprolactone 334.15
    p-cymene 48.43
    epichlorohydrin 616.78
    1,1,1-trichloroethane 520.98
    2-aminoethanol 460.95
    morpholine-4-carbaldehyde 614.96
    sulfolane 506.37
    2,2,4-trimethylpentane 26.59
    2-methyltetrahydrofuran 518.98
    n-hexyl acetate 151.9
    isooctane 14.18
    2-(2-butoxyethoxy)ethanol 218.79
    sec-butyl acetate 86.24
    tert-butyl acetate 150.03
    decalin 26.71
    glycerin 406.54
    diglyme 383.75
    acrylic acid 463.74
    isopropyl myristate 58.36
    n-butyric acid 402.28
    acetyl acetate 240.8
    di(2-ethylhexyl) phthalate 76.94
    ethyl propionate 114.35
    nitromethane 909.78
    1,2-diethoxyethane 179.93
    benzonitrile 236.03
    trioctyl phosphate 44.51
    1-bromopropane 306.05
    gamma-valerolactone 605.99
    n-decanol 61.63
    triethyl phosphate 55.54
    4-methyl-2-pentanol 99.84
    propionitrile 319.3
    vinylene carbonate 265.1
    1,1,2-trichlorotrifluoroethane 540.45
    DMS 132.22
    cumene 54.25
    2-octanol 59.61
    2-hexanone 119.8
    octyl acetate 80.68
    limonene 73.1
    1,2-dimethoxyethane 360.48
    ethyl orthosilicate 54.5
    tributyl phosphate 59.82
    diacetone alcohol 194.99
    N,N-dimethylaniline 128.36
    acrylonitrile 404.61
    aniline 339.61
    1,3-propanediol 446.82
    bromobenzene 287.95
    dibromomethane 758.34
    1,1,2,2-tetrachloroethane 641.06
    2-methyl-cyclohexyl acetate 81.77
    tetrabutyl urea 75.91
    diisobutyl methanol 45.86
    2-phenylethanol 145.51
    styrene 101.47
    dioctyl adipate 89.24
    dimethyl sulfate 212.25
    ethyl butyrate 86.71
    methyl lactate 184.36
    butyl lactate 86.04
    diethyl carbonate 63.68
    propanediol butyl ether 161.04
    triethyl orthoformate 68.45
    p-tert-butyltoluene 47.2
    methyl 4-tert-butylbenzoate 144.54
    morpholine 617.11
    tert-butylamine 240.48
    n-dodecanol 44.62
    dimethoxymethane 369.85
    ethylene carbonate 204.16
    cyrene 156.72
    2-ethoxyethyl acetate 159.76
    2-ethylhexyl acetate 76.16
    1,2,4-trichlorobenzene 315.27
    4-methylpyridine 488.12
    dibutyl ether 88.45
    2,6-dimethyl-4-heptanol 45.86
    DEF 323.17
    dimethyl isosorbide 230.83
    tetrachloroethylene 451.43
    eugenol 140.69
    triacetin 161.87
    span 80 149.05
    1,4-butanediol 177.6
    1,1-dichloroethane 578.23
    2-methyl-1-pentanol 180.23
    methyl formate 329.88
    2-methyl-1-butanol 303.68
    n-decane 16.45
    butyronitrile 299.95
    3,7-dimethyl-1-octanol 93.54
    1-chlorooctane 60.54
    1-chlorotetradecane 25.9
    n-nonane 15.9
    undecane 12.53
    tert-butylcyclohexane 25.21
    cyclooctane 18.37
    cyclopentanol 337.53
    tetrahydropyran 399.08
    tert-amyl methyl ether 214.44
    2,5,8-trioxanonane 270.94
    1-hexene 89.24
    2-isopropoxyethanol 214.95
    2,2,2-trifluoroethanol 350.22
    methyl butyrate 140.46

    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