1-(2-Methyloxazol-5-yl)ethanone

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  • Identifiers

    CAS number
    78503-09-0

    Molecular formula
    C6H7NO2

    SMILES
    CC1=NC=C(O1)C(=O)C

  • Odor profile

    Nutty 77.9%
    Roasted 61.93%
    Caramellic 52.52%
    Burnt 43.21%
    Popcorn 43.05%
    Hazelnut 38.09%
    Meaty 37.05%
    Coffee 36.8%
    Musty 34.96%
    Sweet 33.64%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    125.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point est.
    73.8 ˚C

  • Synonyms

    • 1-(2-Methyloxazol-5-yl)ethanone
    • 78503-09-0
    • 5-Acetyl-2-methyloxazol
    • SCHEMBL12159793

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 195.67
    methanol 387.25
    isopropanol 152.91
    water 48.47
    ethyl acetate 153.7
    n-propanol 139.21
    acetone 301.05
    n-butanol 123.68
    acetonitrile 184.46
    DMF 859.74
    toluene 65.64
    isobutanol 116.83
    1,4-dioxane 288.07
    methyl acetate 232.78
    THF 290.27
    2-butanone 194.31
    n-pentanol 77.29
    sec-butanol 133.72
    n-hexane 10.91
    ethylene glycol 150.55
    NMP 546.05
    cyclohexane 8.84
    DMSO 683.71
    n-butyl acetate 56.63
    n-octanol 52.18
    chloroform 243.72
    n-propyl acetate 64.75
    acetic acid 139.3
    dichloromethane 326.63
    cyclohexanone 193.39
    propylene glycol 139.33
    isopropyl acetate 81.84
    DMAc 870.97
    2-ethoxyethanol 196.98
    isopentanol 96.42
    n-heptane 6.65
    ethyl formate 188.67
    1,2-dichloroethane 189.47
    n-hexanol 55.87
    2-methoxyethanol 477.71
    isobutyl acetate 42.42
    tetrachloromethane 49.32
    n-pentyl acetate 51.42
    transcutol 197.83
    n-heptanol 37.48
    ethylbenzene 44.01
    MIBK 85.96
    2-propoxyethanol 149.92
    tert-butanol 166.95
    MTBE 130.9
    2-butoxyethanol 88.25
    propionic acid 132.53
    o-xylene 66.31
    formic acid 176.95
    diethyl ether 100.74
    m-xylene 53.65
    p-xylene 66.73
    chlorobenzene 95.45
    dimethyl carbonate 133.01
    n-octane 5.07
    formamide 234.95
    cyclopentanone 272.54
    2-pentanone 138.63
    anisole 130.12
    cyclopentyl methyl ether 124.41
    gamma-butyrolactone 338.62
    1-methoxy-2-propanol 291.63
    pyridine 175.92
    3-pentanone 117.29
    furfural 405.65
    n-dodecane 7.14
    diethylene glycol 183.54
    diisopropyl ether 31.67
    tert-amyl alcohol 144.47
    acetylacetone 211.63
    n-hexadecane 7.82
    acetophenone 116.68
    methyl propionate 176.27
    isopentyl acetate 53.16
    trichloroethylene 285.65
    n-nonanol 45.79
    cyclohexanol 91.19
    benzyl alcohol 104.98
    2-ethylhexanol 37.16
    isooctanol 33.0
    dipropyl ether 37.51
    1,2-dichlorobenzene 106.46
    ethyl lactate 69.84
    propylene carbonate 171.89
    n-methylformamide 373.12
    2-pentanol 76.86
    n-pentane 9.83
    1-propoxy-2-propanol 85.61
    1-methoxy-2-propyl acetate 83.93
    2-(2-methoxypropoxy) propanol 95.68
    mesitylene 35.48
    ε-caprolactone 174.15
    p-cymene 28.4
    epichlorohydrin 346.08
    1,1,1-trichloroethane 138.02
    2-aminoethanol 173.41
    morpholine-4-carbaldehyde 509.54
    sulfolane 411.94
    2,2,4-trimethylpentane 10.21
    2-methyltetrahydrofuran 189.52
    n-hexyl acetate 77.51
    isooctane 6.33
    2-(2-butoxyethoxy)ethanol 103.42
    sec-butyl acetate 46.33
    tert-butyl acetate 81.72
    decalin 11.56
    glycerin 232.04
    diglyme 222.07
    acrylic acid 134.97
    isopropyl myristate 34.37
    n-butyric acid 126.96
    acetyl acetate 99.87
    di(2-ethylhexyl) phthalate 44.7
    ethyl propionate 80.6
    nitromethane 414.6
    1,2-diethoxyethane 70.05
    benzonitrile 124.71
    trioctyl phosphate 32.04
    1-bromopropane 98.26
    gamma-valerolactone 404.26
    n-decanol 35.83
    triethyl phosphate 44.57
    4-methyl-2-pentanol 46.9
    propionitrile 126.18
    vinylene carbonate 182.06
    1,1,2-trichlorotrifluoroethane 268.28
    DMS 93.95
    cumene 36.53
    2-octanol 34.17
    2-hexanone 74.4
    octyl acetate 45.29
    limonene 35.2
    1,2-dimethoxyethane 361.48
    ethyl orthosilicate 41.12
    tributyl phosphate 36.04
    diacetone alcohol 120.93
    N,N-dimethylaniline 110.89
    acrylonitrile 192.07
    aniline 108.53
    1,3-propanediol 206.71
    bromobenzene 92.54
    dibromomethane 170.17
    1,1,2,2-tetrachloroethane 249.51
    2-methyl-cyclohexyl acetate 46.06
    tetrabutyl urea 58.33
    diisobutyl methanol 27.35
    2-phenylethanol 68.37
    styrene 50.7
    dioctyl adipate 51.3
    dimethyl sulfate 288.93
    ethyl butyrate 53.98
    methyl lactate 145.93
    butyl lactate 52.67
    diethyl carbonate 48.81
    propanediol butyl ether 95.42
    triethyl orthoformate 45.44
    p-tert-butyltoluene 29.74
    methyl 4-tert-butylbenzoate 92.9
    morpholine 269.71
    tert-butylamine 91.69
    n-dodecanol 29.34
    dimethoxymethane 376.19
    ethylene carbonate 137.48
    cyrene 118.16
    2-ethoxyethyl acetate 72.92
    2-ethylhexyl acetate 42.54
    1,2,4-trichlorobenzene 128.91
    4-methylpyridine 223.59
    dibutyl ether 46.18
    2,6-dimethyl-4-heptanol 27.35
    DEF 248.1
    dimethyl isosorbide 141.14
    tetrachloroethylene 147.26
    eugenol 100.29
    triacetin 83.51
    span 80 64.84
    1,4-butanediol 93.14
    1,1-dichloroethane 173.96
    2-methyl-1-pentanol 72.54
    methyl formate 349.5
    2-methyl-1-butanol 105.9
    n-decane 9.48
    butyronitrile 122.57
    3,7-dimethyl-1-octanol 49.28
    1-chlorooctane 33.34
    1-chlorotetradecane 18.08
    n-nonane 8.6
    undecane 8.08
    tert-butylcyclohexane 13.17
    cyclooctane 4.5
    cyclopentanol 123.07
    tetrahydropyran 127.23
    tert-amyl methyl ether 108.83
    2,5,8-trioxanonane 156.42
    1-hexene 33.41
    2-isopropoxyethanol 109.21
    2,2,2-trifluoroethanol 111.31
    methyl butyrate 113.87

    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