2,4-Dimethyl-5-acetylthiazole

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  • Identifiers

    CAS number
    38205-60-6

    Molecular formula
    C7H9NOS

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 80.48%
    Nutty 79.55%
    Meaty 75.4%
    Sulfurous 52.9%
    Coffee 51.81%
    Hazelnut 50.21%
    Burnt 46.47%
    Popcorn 44.89%
    Beefy 42.5%
    Cocoa 40.52%

     

    Flavor
    Nutty 71.64%
    Roasted 63.1%
    Burnt 49.63%
    Roast 47.21%
    Popcorn 47.12%
    Cocoa 45.48%
    Hazelnut 43.89%
    Meaty 43.17%
    Musty 42.81%
    Coffee 42.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.37 (weak acid)

    Molecular weight
    155.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 228.00 to 230.00 °C. @ 760.00 mm Hg

    Flash point

    • 84.16 ˚C est.

    Solubility expt.

    • slightly
    • Insoluble in water; Soluble in fats, oils, most organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 5-Acetyl-2,4-dimethylthiazole
    • 38205-60-6
    • 2,4-dimethyl-5-acetylthiazole
    • 1-(2,4-Dimethylthiazol-5-yl)ethanone
    • 1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanone
    • Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-
    • nutty thiazole
    • FEMA No. 3267
    • PD36FU2WGY
    • 2,4-Dimethyl-5-thiazoyl methyl ketone
    • 1-(2,4-Dimethyl-5-thiazolyl)ethanone
    • Ketone, 2,4-dimethyl-5-thiazolyl methyl
    • 1-(2,4-Dimethylthiazol-5-yl)ethan-1-one
    • UNII-PD36FU2WGY
    • MFCD00005331
    • 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-one
    • 1-(dimethyl-1,3-thiazol-5-yl)ethan-1-one
    • EINECS 253-826-0
    • 5-Acetyl-2,4-dimethyltriazole
    • DTXSID8047680
    • 2,4-dimethyl-5-acetyl-thiazole
    • Thiazole, 5-acetyl-2,4-dimethyl
    • DIMETHYL-5-ACETYLTHIAZOLE, 2,4-
    • 2,4-DIMETHYL-5-ACETYL-THIAZOLE [FHFI]
    • SCHEMBL211358
    • 2,4-Dimethyl-5-acetylthiozole
    • CHEMBL3185257
    • DTXCID6027680
    • BLQOKWQUTLNKON-UHFFFAOYSA-
    • FEMA 3267
    • CHEBI:169013
    • ALBB-031833
    • Tox21_302567
    • AKOS008945988
    • 5-Acetyl-2,4-dimethylthiazole, 96%
    • AS-9276
    • 2,4-Dimethyl-5-thiazolyl methyl ketone
    • NCGC00256706-01
    • 1-(2,4-Dimethyl-5-thiazolyl)-Ethanone
    • 2,4-Dimethyl-5-acetylthiazole, >=97%
    • AC-27309
    • SY033272
    • 1-(2,4-dimethyl-thiazol-5-yl)-ethanone
    • CAS-38205-60-6
    • A1215
    • CS-0097780
    • NS00022127
    • 1-(2,4-Dimethyl-5-thiazolyl)ethanone, 9CI
    • EN300-36519
    • F20383
    • 1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanone #
    • 1-(2,4-DIMETHYL-THIAZOL-5-YL)ETHANONE
    • AS-871/40187168
    • Q27286487
    • Z48850643
    • F1967-6732
    • InChI=1/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3

  • Applications

    2,4-Dimethyl-5-acetylthiazole (CAS 38205-60-6) is commonly used as a synthetic intermediate in pharmaceutical and agrochemical synthesis; it also functions as an odorant and fragrance ingredient in perfumery and cosmetics, may contribute coffee-like or roasted notes in flavor applications, and serves as a building block in industrial manufacturing and polymer-related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 265.98
    methanol 393.54
    isopropanol 204.45
    water 34.07
    ethyl acetate 405.42
    n-propanol 234.8
    acetone 580.08
    n-butanol 211.95
    acetonitrile 419.77
    DMF 1238.43
    toluene 306.77
    isobutanol 186.16
    1,4-dioxane 841.22
    methyl acetate 444.93
    THF 1069.1
    2-butanone 420.01
    n-pentanol 136.95
    sec-butanol 205.86
    n-hexane 45.22
    ethylene glycol 212.44
    NMP 1077.72
    cyclohexane 63.87
    DMSO 799.76
    n-butyl acetate 156.21
    n-octanol 118.54
    chloroform 820.04
    n-propyl acetate 170.29
    acetic acid 306.71
    dichloromethane 777.14
    cyclohexanone 559.41
    propylene glycol 175.47
    isopropyl acetate 237.01
    DMAc 906.48
    2-ethoxyethanol 352.2
    isopentanol 159.53
    n-heptane 30.11
    ethyl formate 260.12
    1,2-dichloroethane 486.9
    n-hexanol 155.76
    2-methoxyethanol 741.98
    isobutyl acetate 115.58
    tetrachloromethane 190.94
    n-pentyl acetate 144.69
    transcutol 456.66
    n-heptanol 90.54
    ethylbenzene 131.14
    MIBK 225.0
    2-propoxyethanol 418.91
    tert-butanol 241.47
    MTBE 257.73
    2-butoxyethanol 195.09
    propionic acid 248.95
    o-xylene 192.14
    formic acid 204.45
    diethyl ether 340.77
    m-xylene 227.43
    p-xylene 162.69
    chlorobenzene 342.12
    dimethyl carbonate 312.36
    n-octane 18.17
    formamide 328.17
    cyclopentanone 766.08
    2-pentanone 353.74
    anisole 332.12
    cyclopentyl methyl ether 549.58
    gamma-butyrolactone 859.61
    1-methoxy-2-propanol 539.91
    pyridine 522.32
    3-pentanone 315.87
    furfural 790.96
    n-dodecane 19.02
    diethylene glycol 400.77
    diisopropyl ether 117.34
    tert-amyl alcohol 210.27
    acetylacetone 527.44
    n-hexadecane 22.15
    acetophenone 263.74
    methyl propionate 414.81
    isopentyl acetate 143.37
    trichloroethylene 832.61
    n-nonanol 105.07
    cyclohexanol 253.81
    benzyl alcohol 215.22
    2-ethylhexanol 103.37
    isooctanol 76.87
    dipropyl ether 135.91
    1,2-dichlorobenzene 320.34
    ethyl lactate 140.58
    propylene carbonate 374.91
    n-methylformamide 512.52
    2-pentanol 157.27
    n-pentane 43.49
    1-propoxy-2-propanol 227.8
    1-methoxy-2-propyl acetate 245.14
    2-(2-methoxypropoxy) propanol 191.86
    mesitylene 149.43
    ε-caprolactone 450.25
    p-cymene 77.79
    epichlorohydrin 871.0
    1,1,1-trichloroethane 510.14
    2-aminoethanol 245.84
    morpholine-4-carbaldehyde 983.03
    sulfolane 990.38
    2,2,4-trimethylpentane 26.23
    2-methyltetrahydrofuran 632.81
    n-hexyl acetate 227.41
    isooctane 21.6
    2-(2-butoxyethoxy)ethanol 239.73
    sec-butyl acetate 130.38
    tert-butyl acetate 259.66
    decalin 48.56
    glycerin 336.62
    diglyme 431.93
    acrylic acid 256.53
    isopropyl myristate 101.83
    n-butyric acid 265.96
    acetyl acetate 293.56
    di(2-ethylhexyl) phthalate 103.96
    ethyl propionate 223.82
    nitromethane 782.96
    1,2-diethoxyethane 172.18
    benzonitrile 279.89
    trioctyl phosphate 80.01
    1-bromopropane 263.02
    gamma-valerolactone 958.47
    n-decanol 78.89
    triethyl phosphate 113.55
    4-methyl-2-pentanol 97.39
    propionitrile 287.47
    vinylene carbonate 376.59
    1,1,2-trichlorotrifluoroethane 569.1
    DMS 246.18
    cumene 90.72
    2-octanol 80.9
    2-hexanone 193.09
    octyl acetate 132.15
    limonene 110.75
    1,2-dimethoxyethane 527.5
    ethyl orthosilicate 105.49
    tributyl phosphate 90.34
    diacetone alcohol 295.25
    N,N-dimethylaniline 219.44
    acrylonitrile 392.57
    aniline 298.15
    1,3-propanediol 297.86
    bromobenzene 360.77
    dibromomethane 484.41
    1,1,2,2-tetrachloroethane 647.49
    2-methyl-cyclohexyl acetate 141.4
    tetrabutyl urea 128.3
    diisobutyl methanol 64.35
    2-phenylethanol 194.55
    styrene 162.09
    dioctyl adipate 134.74
    dimethyl sulfate 581.63
    ethyl butyrate 151.52
    methyl lactate 274.85
    butyl lactate 117.67
    diethyl carbonate 116.16
    propanediol butyl ether 177.92
    triethyl orthoformate 118.79
    p-tert-butyltoluene 82.73
    methyl 4-tert-butylbenzoate 236.78
    morpholine 744.38
    tert-butylamine 153.72
    n-dodecanol 63.69
    dimethoxymethane 791.34
    ethylene carbonate 306.76
    cyrene 270.23
    2-ethoxyethyl acetate 206.85
    2-ethylhexyl acetate 124.97
    1,2,4-trichlorobenzene 372.44
    4-methylpyridine 547.16
    dibutyl ether 118.84
    2,6-dimethyl-4-heptanol 64.35
    DEF 447.64
    dimethyl isosorbide 371.32
    tetrachloroethylene 433.27
    eugenol 235.66
    triacetin 210.6
    span 80 163.8
    1,4-butanediol 135.69
    1,1-dichloroethane 455.89
    2-methyl-1-pentanol 122.59
    methyl formate 468.17
    2-methyl-1-butanol 173.49
    n-decane 28.18
    butyronitrile 255.13
    3,7-dimethyl-1-octanol 103.2
    1-chlorooctane 99.82
    1-chlorotetradecane 48.75
    n-nonane 27.71
    undecane 22.57
    tert-butylcyclohexane 43.92
    cyclooctane 33.07
    cyclopentanol 321.06
    tetrahydropyran 528.43
    tert-amyl methyl ether 237.28
    2,5,8-trioxanonane 312.54
    1-hexene 103.91
    2-isopropoxyethanol 211.73
    2,2,2-trifluoroethanol 223.52
    methyl butyrate 246.22

    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