1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-one

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  • Identifiers

    CAS number
    59303-17-2

    Molecular formula
    C6H7NOS

    SMILES
    CC1=CN=C(S1)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 76.42%
    Roasted 69.93%
    Meaty 57.66%
    Popcorn 48.13%
    Hazelnut 42.75%
    Coffee 41.03%
    Burnt 37.64%
    Sulfurous 36.57%
    Cooked 33.88%
    Cocoa 30.76%

     

    Flavor
    Nutty 72.95%
    Popcorn 56.98%
    Roasted 56.88%
    Roast 53.62%
    Hazelnut 45.94%
    Corn 44.42%
    Coffee 42.7%
    Burnt 41.26%
    Potato 40.11%
    Chip 39.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.06 (neutral)

    Molecular weight
    141.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 83.42 ˚C est.

  • Synonyms

    • 2-Acetyl-5-methylthiazole
    • 1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-one
    • Ethanone, 1-(5-methyl-2-thiazolyl)-
    • DTXSID40336158
    • RefChem:426553
    • DTXCID90287247
    • 970-994-7
    • 59303-17-2
    • 1-(5-Methylthiazol-2-yl)ethanone
    • 1-(5-methyl-1,3-thiazol-2-yl)ethanone
    • Ethanone, 1-(5-methyl-2-thiazolyl)- (9CI)
    • MFCD00129683
    • 2-Acetyl-5-methyl thiazole
    • 1-(5-Methylthiazol-2-yl)ethan-1-one
    • Thiazole, 2-acetyl-4-methyl
    • TFS2VTL8AT
    • 1-(5-Methyl-1,3-thiazol-2-yl)-1-ethanone
    • SCHEMBL933967
    • 1-(5-Methyl-2-thiazolyl)ethanone
    • JCA30317
    • Ketone, methyl 5-methyl-2-thiazolyl
    • 1-(5-methyl-thiazol-2-yl)-ethanone
    • AKOS012685240
    • AB93414
    • BS-29211
    • DA-04578
    • SY065896
    • CS-0149227
    • NS00127183
    • EN300-137378
    • F046470
    • Z1136432109
    • 59303-17-2

  • Applications

    1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-one (CAS 59303-17-2) is primarily used as an organic synthesis intermediate and building block in fragrance and flavor chemistry, providing a thiazole-containing scaffold for aroma compounds. In industry, it is commonly evaluated for use in perfumery and cosmetics as a fragrance ingredient or odorant, and may serve as a precursor in pharmaceutical and agrochemical research. It can also find application in household products and other consumer formulations as a specialized odorant component, while the broader industrial manufacturing sector may employ it as a chemical intermediate for complex syntheses, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 211.26
    methanol 338.01
    isopropanol 167.6
    water 23.61
    ethyl acetate 230.34
    n-propanol 169.86
    acetone 407.16
    n-butanol 159.03
    acetonitrile 230.77
    DMF 833.56
    toluene 156.07
    isobutanol 139.26
    1,4-dioxane 428.22
    methyl acetate 271.17
    THF 434.29
    2-butanone 296.54
    n-pentanol 123.42
    sec-butanol 162.56
    n-hexane 17.05
    ethylene glycol 165.78
    NMP 560.85
    cyclohexane 16.44
    DMSO 502.84
    n-butyl acetate 122.85
    n-octanol 107.62
    chloroform 481.63
    n-propyl acetate 133.53
    acetic acid 185.37
    dichloromethane 446.32
    cyclohexanone 324.9
    propylene glycol 154.09
    isopropyl acetate 156.28
    DMAc 661.88
    2-ethoxyethanol 304.89
    isopentanol 138.52
    n-heptane 17.89
    ethyl formate 209.1
    1,2-dichloroethane 255.33
    n-hexanol 132.01
    2-methoxyethanol 525.73
    isobutyl acetate 102.27
    tetrachloromethane 98.45
    n-pentyl acetate 109.8
    transcutol 365.3
    n-heptanol 90.21
    ethylbenzene 87.1
    MIBK 169.35
    2-propoxyethanol 321.69
    tert-butanol 217.65
    MTBE 191.61
    2-butoxyethanol 187.67
    propionic acid 157.17
    o-xylene 118.77
    formic acid 148.55
    diethyl ether 169.19
    m-xylene 130.29
    p-xylene 119.36
    chlorobenzene 195.98
    dimethyl carbonate 165.5
    n-octane 12.47
    formamide 173.02
    cyclopentanone 417.87
    2-pentanone 251.56
    anisole 229.78
    cyclopentyl methyl ether 225.74
    gamma-butyrolactone 408.2
    1-methoxy-2-propanol 382.78
    pyridine 246.26
    3-pentanone 190.97
    furfural 476.87
    n-dodecane 13.94
    diethylene glycol 334.09
    diisopropyl ether 70.18
    tert-amyl alcohol 180.57
    acetylacetone 355.33
    n-hexadecane 15.75
    acetophenone 207.42
    methyl propionate 220.35
    isopentyl acetate 119.69
    trichloroethylene 481.47
    n-nonanol 91.32
    cyclohexanol 148.7
    benzyl alcohol 173.39
    2-ethylhexanol 87.0
    isooctanol 77.41
    dipropyl ether 92.43
    1,2-dichlorobenzene 193.43
    ethyl lactate 117.38
    propylene carbonate 234.71
    n-methylformamide 329.15
    2-pentanol 121.81
    n-pentane 17.65
    1-propoxy-2-propanol 191.71
    1-methoxy-2-propyl acetate 175.2
    2-(2-methoxypropoxy) propanol 164.86
    mesitylene 86.12
    ε-caprolactone 262.25
    p-cymene 62.73
    epichlorohydrin 432.77
    1,1,1-trichloroethane 290.16
    2-aminoethanol 191.75
    morpholine-4-carbaldehyde 601.97
    sulfolane 490.59
    2,2,4-trimethylpentane 18.48
    2-methyltetrahydrofuran 282.89
    n-hexyl acetate 155.76
    isooctane 14.97
    2-(2-butoxyethoxy)ethanol 197.57
    sec-butyl acetate 103.28
    tert-butyl acetate 180.18
    decalin 22.65
    glycerin 256.14
    diglyme 343.52
    acrylic acid 175.25
    isopropyl myristate 74.84
    n-butyric acid 181.46
    acetyl acetate 172.14
    di(2-ethylhexyl) phthalate 80.51
    ethyl propionate 137.35
    nitromethane 437.68
    1,2-diethoxyethane 146.64
    benzonitrile 210.89
    trioctyl phosphate 60.67
    1-bromopropane 141.99
    gamma-valerolactone 523.58
    n-decanol 71.88
    triethyl phosphate 77.37
    4-methyl-2-pentanol 86.37
    propionitrile 166.01
    vinylene carbonate 239.11
    1,1,2-trichlorotrifluoroethane 352.06
    DMS 160.2
    cumene 69.13
    2-octanol 80.08
    2-hexanone 160.21
    octyl acetate 91.79
    limonene 83.42
    1,2-dimethoxyethane 405.41
    ethyl orthosilicate 75.21
    tributyl phosphate 66.44
    diacetone alcohol 230.82
    N,N-dimethylaniline 171.12
    acrylonitrile 230.38
    aniline 174.0
    1,3-propanediol 240.68
    bromobenzene 197.58
    dibromomethane 265.05
    1,1,2,2-tetrachloroethane 380.82
    2-methyl-cyclohexyl acetate 99.7
    tetrabutyl urea 96.71
    diisobutyl methanol 63.13
    2-phenylethanol 156.71
    styrene 109.43
    dioctyl adipate 91.41
    dimethyl sulfate 297.38
    ethyl butyrate 103.83
    methyl lactate 182.66
    butyl lactate 102.44
    diethyl carbonate 80.12
    propanediol butyl ether 187.65
    triethyl orthoformate 86.54
    p-tert-butyltoluene 68.36
    methyl 4-tert-butylbenzoate 169.59
    morpholine 356.28
    tert-butylamine 125.24
    n-dodecanol 58.98
    dimethoxymethane 418.27
    ethylene carbonate 184.61
    cyrene 205.19
    2-ethoxyethyl acetate 154.54
    2-ethylhexyl acetate 97.86
    1,2,4-trichlorobenzene 229.98
    4-methylpyridine 307.1
    dibutyl ether 87.4
    2,6-dimethyl-4-heptanol 63.13
    DEF 296.02
    dimethyl isosorbide 247.35
    tetrachloroethylene 251.16
    eugenol 183.48
    triacetin 148.7
    span 80 132.47
    1,4-butanediol 135.89
    1,1-dichloroethane 279.35
    2-methyl-1-pentanol 115.28
    methyl formate 336.32
    2-methyl-1-butanol 136.55
    n-decane 20.34
    butyronitrile 173.23
    3,7-dimethyl-1-octanol 94.6
    1-chlorooctane 74.25
    1-chlorotetradecane 36.18
    n-nonane 19.33
    undecane 16.47
    tert-butylcyclohexane 26.58
    cyclooctane 9.9
    cyclopentanol 173.68
    tetrahydropyran 228.44
    tert-amyl methyl ether 166.51
    2,5,8-trioxanonane 241.47
    1-hexene 60.28
    2-isopropoxyethanol 209.38
    2,2,2-trifluoroethanol 146.17
    methyl butyrate 178.19

    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