5-Acetyl-4-methylthiazole

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  • Identifiers

    CAS number
    38205-55-9

    Molecular formula
    C6H7NOS

    SMILES
    CC1=C(SC=N1)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 83.8%
    Roasted 77.21%
    Meaty 67.42%
    Popcorn 55.52%
    Sulfurous 50.27%
    Coffee 47.78%
    Hazelnut 47.04%
    Burnt 43.02%
    Beefy 39.73%
    Cooked 38.03%

     

    Flavor
    Nutty 76.09%
    Roasted 56.66%
    Popcorn 53.51%
    Roast 50.1%
    Hazelnut 44.63%
    Corn 43.54%
    Coffee 42.51%
    Burnt 42.28%
    Vegetable 40.09%
    Earthy 39.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.13 (weak acid)

    Molecular weight
    141.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 86.68 ˚C est.

  • Synonyms

    • 1-(4-Methylthiazol-5-yl)ethanone
    • 38205-55-9
    • 1-(4-Methyl-1,3-thiazol-5-yl)ethanone
    • 5-Acetyl-4-methylthiazole
    • 4-Methyl-5-acetyl thiazole
    • Ethanone, 1-(4-methyl-5-thiazolyl)-
    • MFCD09029046
    • 1-(4-Methylthiazol-5-yl)ethan-1-one
    • Thiazole, 5-acetyl-4-methyl
    • DTXSID00191588
    • 1-(4-methyl-5-thiazolyl)ethanone
    • SCHEMBL5725392
    • DTXCID40114079
    • CHEBI:166503
    • ALBB-022346
    • AKOS009265270
    • 5-Acetyl-4-methylthiazole (NLA 511)
    • AS-42193
    • SY173784
    • DB-069648
    • 1-(4-Methyl-1,3-thiazol-5-yl)ethanone #
    • CS-0103333
    • 1-(4-methyl-1,3-thiazol-5-yl)ethan-1-one
    • EN300-37349
    • 1-(4-Methyl-1,3-thiazol-5-yl)ethanone, AldrichCPR
    • Z381360946

  • Applications

    5-Acetyl-4-methylthiazole is used primarily as an aroma and flavor agent, imparting roasted or meat-like notes in flavor formulations and processed foods; it also serves as a fragrance ingredient for perfumery and cosmetics/personal care products, contributing distinctive odor characters; it is employed as an odorant additive in household products such as cleaners and air fresheners; in industrial manufacturing it acts as a building block or intermediate for the synthesis of other thiazole-containing compounds in fine chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.68
    methanol 126.26
    isopropanol 66.07
    water 13.55
    ethyl acetate 138.69
    n-propanol 78.76
    acetone 208.6
    n-butanol 69.58
    acetonitrile 151.41
    DMF 490.77
    toluene 91.81
    isobutanol 56.81
    1,4-dioxane 293.79
    methyl acetate 158.17
    THF 384.13
    2-butanone 145.38
    n-pentanol 53.35
    sec-butanol 60.73
    n-hexane 13.42
    ethylene glycol 74.29
    NMP 574.52
    cyclohexane 20.27
    DMSO 359.48
    n-butyl acetate 64.32
    n-octanol 32.72
    chloroform 283.01
    n-propyl acetate 68.05
    acetic acid 156.05
    dichloromethane 268.54
    cyclohexanone 225.52
    propylene glycol 53.67
    isopropyl acetate 83.29
    DMAc 378.5
    2-ethoxyethanol 149.82
    isopentanol 59.18
    n-heptane 10.9
    ethyl formate 95.43
    1,2-dichloroethane 161.76
    n-hexanol 53.19
    2-methoxyethanol 278.85
    isobutyl acetate 46.8
    tetrachloromethane 60.11
    n-pentyl acetate 54.06
    transcutol 312.4
    n-heptanol 29.17
    ethylbenzene 42.46
    MIBK 78.06
    2-propoxyethanol 149.07
    tert-butanol 83.6
    MTBE 73.03
    2-butoxyethanol 75.43
    propionic acid 99.8
    o-xylene 62.78
    formic acid 114.89
    diethyl ether 106.87
    m-xylene 68.79
    p-xylene 54.05
    chlorobenzene 132.59
    dimethyl carbonate 107.79
    n-octane 4.84
    formamide 191.61
    cyclopentanone 319.09
    2-pentanone 123.71
    anisole 127.06
    cyclopentyl methyl ether 181.24
    gamma-butyrolactone 372.03
    1-methoxy-2-propanol 201.55
    pyridine 219.73
    3-pentanone 110.06
    furfural 362.49
    n-dodecane 5.09
    diethylene glycol 162.99
    diisopropyl ether 34.74
    tert-amyl alcohol 68.43
    acetylacetone 204.16
    n-hexadecane 5.94
    acetophenone 114.87
    methyl propionate 141.06
    isopentyl acetate 60.87
    trichloroethylene 321.84
    n-nonanol 32.09
    cyclohexanol 84.31
    benzyl alcohol 87.5
    2-ethylhexanol 37.78
    isooctanol 26.35
    dipropyl ether 52.1
    1,2-dichlorobenzene 132.18
    ethyl lactate 55.28
    propylene carbonate 164.85
    n-methylformamide 199.28
    2-pentanol 51.44
    n-pentane 13.25
    1-propoxy-2-propanol 91.3
    1-methoxy-2-propyl acetate 108.04
    2-(2-methoxypropoxy) propanol 100.26
    mesitylene 46.0
    ε-caprolactone 187.03
    p-cymene 29.55
    epichlorohydrin 321.78
    1,1,1-trichloroethane 172.04
    2-aminoethanol 92.54
    morpholine-4-carbaldehyde 457.7
    sulfolane 419.43
    2,2,4-trimethylpentane 8.24
    2-methyltetrahydrofuran 236.3
    n-hexyl acetate 74.91
    isooctane 6.0
    2-(2-butoxyethoxy)ethanol 124.2
    sec-butyl acetate 54.43
    tert-butyl acetate 95.67
    decalin 14.9
    glycerin 127.35
    diglyme 225.99
    acrylic acid 116.22
    isopropyl myristate 40.37
    n-butyric acid 102.33
    acetyl acetate 109.13
    di(2-ethylhexyl) phthalate 45.54
    ethyl propionate 83.07
    nitromethane 388.48
    1,2-diethoxyethane 89.9
    benzonitrile 118.04
    trioctyl phosphate 30.33
    1-bromopropane 81.55
    gamma-valerolactone 408.0
    n-decanol 24.82
    triethyl phosphate 53.63
    4-methyl-2-pentanol 33.68
    propionitrile 94.74
    vinylene carbonate 166.7
    1,1,2-trichlorotrifluoroethane 244.65
    DMS 102.09
    cumene 32.49
    2-octanol 23.92
    2-hexanone 77.08
    octyl acetate 48.78
    limonene 41.62
    1,2-dimethoxyethane 226.22
    ethyl orthosilicate 48.64
    tributyl phosphate 40.25
    diacetone alcohol 117.06
    N,N-dimethylaniline 90.25
    acrylonitrile 139.68
    aniline 113.54
    1,3-propanediol 111.54
    bromobenzene 130.17
    dibromomethane 160.76
    1,1,2,2-tetrachloroethane 225.75
    2-methyl-cyclohexyl acetate 67.85
    tetrabutyl urea 58.21
    diisobutyl methanol 27.41
    2-phenylethanol 73.14
    styrene 55.83
    dioctyl adipate 63.22
    dimethyl sulfate 216.47
    ethyl butyrate 64.15
    methyl lactate 101.31
    butyl lactate 48.59
    diethyl carbonate 53.11
    propanediol butyl ether 69.63
    triethyl orthoformate 56.71
    p-tert-butyltoluene 29.31
    methyl 4-tert-butylbenzoate 100.6
    morpholine 280.73
    tert-butylamine 53.48
    n-dodecanol 20.41
    dimethoxymethane 257.84
    ethylene carbonate 127.91
    cyrene 137.47
    2-ethoxyethyl acetate 89.39
    2-ethylhexyl acetate 54.51
    1,2,4-trichlorobenzene 156.99
    4-methylpyridine 211.77
    dibutyl ether 44.04
    2,6-dimethyl-4-heptanol 27.41
    DEF 175.04
    dimethyl isosorbide 198.02
    tetrachloroethylene 150.0
    eugenol 102.54
    triacetin 103.04
    span 80 77.93
    1,4-butanediol 53.75
    1,1-dichloroethane 147.39
    2-methyl-1-pentanol 50.46
    methyl formate 173.67
    2-methyl-1-butanol 58.03
    n-decane 7.43
    butyronitrile 83.65
    3,7-dimethyl-1-octanol 34.78
    1-chlorooctane 27.49
    1-chlorotetradecane 14.88
    n-nonane 6.79
    undecane 6.04
    tert-butylcyclohexane 13.22
    cyclooctane 8.69
    cyclopentanol 110.43
    tetrahydropyran 177.67
    tert-amyl methyl ether 69.8
    2,5,8-trioxanonane 185.52
    1-hexene 32.41
    2-isopropoxyethanol 91.82
    2,2,2-trifluoroethanol 112.79
    methyl butyrate 93.54

    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