2,5-Dimethylthiazole

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  • Identifiers

    CAS number
    4175-66-0

    Molecular formula
    C5H7NS

    SMILES
    CC1=CN=C(S1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 78.76%
    Roasted 71.51%
    Meaty 71.31%
    Green 70.63%
    Sulfurous 56.59%
    Vegetable 55.27%
    Cocoa 54.89%
    Coffee 51.3%
    Earthy 47.42%
    Burnt 46.44%

     

    Flavor
    Nutty 68.52%
    Roasted 66.56%
    Coffee 52.15%
    Cocoa 50.86%
    Roast 42.72%
    Vegetable 38.76%
    Burnt 37.8%
    Chocolate 37.4%
    Hazelnut 35.59%
    Meaty 35.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.9 (weak acid)

    Molecular weight
    113.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 69.00 °C. @ 760.00 mm Hg

    Boiling point

    • 152.00 °C. @ 760.00 mm Hg

    Flash point

    • 39.01 ˚C est.

    Solubility expt.

    • slightly
    • Soluble in non-polar solvents; slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2,5-Dimethylthiazole
    • 4175-66-0
    • 2,5-Dimethyl-1,3-thiazole
    • Thiazole, 2,5-dimethyl-
    • UNII-4JGJ9O7P4J
    • 4JGJ9O7P4J
    • 2,5-dimethyl-thiazole
    • MFCD00130120
    • DTXSID3063336
    • FEMA NO. 4035
    • 2,5-DIMETHYLTHIAZOLE [FHFI]
    • 2,5-dimethyl thiazole
    • 2 pound not5-Dimethylthiazole
    • SCHEMBL119227
    • DTXCID0039982
    • CHEBI:184697
    • BCP22024
    • AKOS006275451
    • CS-W002408
    • AS-15118
    • FD139478
    • SY030427
    • DB-005144
    • NS00126486
    • EN300-90249
    • 2,5-Dimethyl-1,3-thiazole;Thiazole, 2,5-dimethyl-
    • Q27259755
    • 806-489-4

  • Applications

    2,5-Dimethylthiazole (CAS 4175-66-0) is used as an organic chemical intermediate in the synthesis of heterocyclic thiazole-containing compounds, including precursors for pharmaceuticals and agrochemicals. It is also considered an odorant or fragrance component in perfumery and flavor formulations, with potential use as an aroma ingredient in food-related research. In addition, it can serve as a building block in polymer chemistry, enabling the synthesis of thiazole-containing monomers or additives for polymers, coatings, and inks. Its applications are typically exploratory or development-stage, and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 498.68
    methanol 589.12
    isopropanol 362.19
    water 34.64
    ethyl acetate 466.64
    n-propanol 386.01
    acetone 446.91
    n-butanol 405.18
    acetonitrile 379.31
    DMF 500.4
    toluene 369.63
    isobutanol 315.62
    1,4-dioxane 590.71
    methyl acetate 426.78
    THF 714.62
    2-butanone 441.67
    n-pentanol 314.44
    sec-butanol 368.36
    n-hexane 87.7
    ethylene glycol 168.04
    NMP 658.64
    cyclohexane 101.48
    DMSO 371.28
    n-butyl acetate 304.67
    n-octanol 203.46
    chloroform 1235.22
    n-propyl acetate 228.17
    acetic acid 477.02
    dichloromethane 931.2
    cyclohexanone 537.98
    propylene glycol 192.85
    isopropyl acetate 274.07
    DMAc 542.86
    2-ethoxyethanol 477.98
    isopentanol 341.54
    n-heptane 94.06
    ethyl formate 316.99
    1,2-dichloroethane 446.77
    n-hexanol 375.79
    2-methoxyethanol 685.91
    isobutyl acetate 168.59
    tetrachloromethane 369.16
    n-pentyl acetate 227.72
    transcutol 761.76
    n-heptanol 219.27
    ethylbenzene 159.19
    MIBK 249.97
    2-propoxyethanol 614.3
    tert-butanol 385.96
    MTBE 411.44
    2-butoxyethanol 358.78
    propionic acid 311.9
    o-xylene 240.1
    formic acid 277.04
    diethyl ether 477.69
    m-xylene 263.17
    p-xylene 198.84
    chlorobenzene 405.74
    dimethyl carbonate 196.42
    n-octane 40.6
    formamide 309.21
    cyclopentanone 534.83
    2-pentanone 411.27
    anisole 336.68
    cyclopentyl methyl ether 480.12
    gamma-butyrolactone 537.7
    1-methoxy-2-propanol 510.78
    pyridine 511.6
    3-pentanone 320.18
    furfural 626.44
    n-dodecane 32.56
    diethylene glycol 430.04
    diisopropyl ether 174.21
    tert-amyl alcohol 393.2
    acetylacetone 392.41
    n-hexadecane 35.95
    acetophenone 268.63
    methyl propionate 356.64
    isopentyl acetate 264.62
    trichloroethylene 911.39
    n-nonanol 182.1
    cyclohexanol 363.75
    benzyl alcohol 269.88
    2-ethylhexanol 244.95
    isooctanol 174.98
    dipropyl ether 272.86
    1,2-dichlorobenzene 373.35
    ethyl lactate 137.79
    propylene carbonate 331.0
    n-methylformamide 342.67
    2-pentanol 319.14
    n-pentane 107.02
    1-propoxy-2-propanol 411.32
    1-methoxy-2-propyl acetate 315.26
    2-(2-methoxypropoxy) propanol 258.64
    mesitylene 164.63
    ε-caprolactone 468.21
    p-cymene 134.65
    epichlorohydrin 667.42
    1,1,1-trichloroethane 677.55
    2-aminoethanol 283.42
    morpholine-4-carbaldehyde 682.44
    sulfolane 486.01
    2,2,4-trimethylpentane 69.22
    2-methyltetrahydrofuran 665.52
    n-hexyl acetate 279.32
    isooctane 47.46
    2-(2-butoxyethoxy)ethanol 354.52
    sec-butyl acetate 181.98
    tert-butyl acetate 290.56
    decalin 69.04
    glycerin 280.2
    diglyme 568.39
    acrylic acid 287.43
    isopropyl myristate 128.37
    n-butyric acid 416.11
    acetyl acetate 304.61
    di(2-ethylhexyl) phthalate 129.8
    ethyl propionate 212.89
    nitromethane 622.55
    1,2-diethoxyethane 353.18
    benzonitrile 318.66
    trioctyl phosphate 92.24
    1-bromopropane 377.1
    gamma-valerolactone 704.39
    n-decanol 137.95
    triethyl phosphate 122.59
    4-methyl-2-pentanol 190.72
    propionitrile 300.3
    vinylene carbonate 352.85
    1,1,2-trichlorotrifluoroethane 525.51
    DMS 197.89
    cumene 121.47
    2-octanol 154.35
    2-hexanone 269.39
    octyl acetate 165.07
    limonene 204.17
    1,2-dimethoxyethane 536.35
    ethyl orthosilicate 129.36
    tributyl phosphate 107.67
    diacetone alcohol 314.59
    N,N-dimethylaniline 231.54
    acrylonitrile 316.47
    aniline 394.21
    1,3-propanediol 365.91
    bromobenzene 399.99
    dibromomethane 653.9
    1,1,2,2-tetrachloroethane 681.68
    2-methyl-cyclohexyl acetate 197.47
    tetrabutyl urea 132.28
    diisobutyl methanol 136.14
    2-phenylethanol 310.99
    styrene 202.25
    dioctyl adipate 154.37
    dimethyl sulfate 261.67
    ethyl butyrate 226.9
    methyl lactate 199.07
    butyl lactate 161.47
    diethyl carbonate 149.0
    propanediol butyl ether 248.58
    triethyl orthoformate 175.06
    p-tert-butyltoluene 132.29
    methyl 4-tert-butylbenzoate 247.62
    morpholine 617.77
    tert-butylamine 289.54
    n-dodecanol 108.2
    dimethoxymethane 443.57
    ethylene carbonate 286.16
    cyrene 274.88
    2-ethoxyethyl acetate 304.4
    2-ethylhexyl acetate 226.25
    1,2,4-trichlorobenzene 432.77
    4-methylpyridine 604.99
    dibutyl ether 202.67
    2,6-dimethyl-4-heptanol 136.14
    DEF 438.62
    dimethyl isosorbide 376.14
    tetrachloroethylene 499.31
    eugenol 251.91
    triacetin 239.45
    span 80 242.88
    1,4-butanediol 195.89
    1,1-dichloroethane 630.51
    2-methyl-1-pentanol 301.23
    methyl formate 278.8
    2-methyl-1-butanol 356.18
    n-decane 52.14
    butyronitrile 362.04
    3,7-dimethyl-1-octanol 199.53
    1-chlorooctane 153.67
    1-chlorotetradecane 72.65
    n-nonane 52.14
    undecane 39.81
    tert-butylcyclohexane 69.58
    cyclooctane 53.85
    cyclopentanol 345.46
    tetrahydropyran 528.57
    tert-amyl methyl ether 369.95
    2,5,8-trioxanonane 396.91
    1-hexene 202.34
    2-isopropoxyethanol 344.48
    2,2,2-trifluoroethanol 285.71
    methyl butyrate 258.65

    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