2-Methylthiazole

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  • Identifiers

    CAS number
    3581-87-1

    Molecular formula
    C4H5NS

    SMILES
    CC1=NC=CS1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 83.75%
    Vegetable 70.95%
    Nutty 66.67%
    Meaty 57.14%
    Sulfurous 50.04%
    Roasted 44.09%
    Fishy 41.02%
    Tomato 40.91%
    Cocoa 40.41%
    Alliaceous 37.1%

     

    Flavor
    Nutty 69.83%
    Green 59.56%
    Roasted 53.86%
    Vegetable 45.28%
    Coffee 39.56%
    Sulfur 37.97%
    Sulfury 32.21%
    Tomato 31.39%
    Cocoa 31.03%
    Chocolate 30.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.31 (weak acid)

    Molecular weight
    99.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    130°C

    Flash point

    • 25.26 ˚C est.

  • Synonyms

    • 2-Methylthiazole
    • 3581-87-1
    • 2-Methyl-1,3-thiazole
    • Thiazole, 2-methyl-
    • 2-methyl-thiazole
    • 7G081N1ERP
    • EINECS 222-702-8
    • MFCD00053144
    • DTXSID20189346
    • 2-Methyl thiazole
    • Thiazole, methyl-
    • methylthiazol
    • UNII-7G081N1ERP
    • 2-Methyl-1,3-thiazole #
    • DTXCID50111837
    • CHEBI:229326
    • 2-Methyl-1,3-thiazole, AldrichCPR
    • AKOS009247442
    • CS-W002260
    • BP-20392
    • SY009541
    • DB-006197
    • M1755
    • NS00022094
    • EN300-36818
    • Q27268213
    • 222-702-8

  • Applications

    2-Methylthiazole (CAS 3581-87-1) is primarily used as an odorant and building block in several industries. In perfumery and cosmetics, it contributes distinctive savory and roasted notes as a fragrance ingredient. In the flavor/aroma sector for food processing, it may serve as a flavor precursor or aroma additive within regulated formulations. It also acts as a chemical intermediate in industrial manufacturing, enabling the synthesis of heterocyclic thiazole-containing compounds for pharmaceuticals and agrochemicals. In research and development, it is commonly used as a building block in medicinal chemistry and in the design of related catalysts or ligands. Additionally, it may be employed as a precursor for specialty polymers or materials incorporating thiazole motifs. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 400.8
    methanol 635.38
    isopropanol 260.8
    water 72.87
    ethyl acetate 294.29
    n-propanol 308.78
    acetone 460.82
    n-butanol 246.78
    acetonitrile 427.38
    DMF 867.65
    toluene 228.0
    isobutanol 207.0
    1,4-dioxane 561.59
    methyl acetate 414.59
    THF 402.89
    2-butanone 375.29
    n-pentanol 174.8
    sec-butanol 246.1
    n-hexane 16.58
    ethylene glycol 210.32
    NMP 617.97
    cyclohexane 30.59
    DMSO 467.55
    n-butyl acetate 93.85
    n-octanol 81.77
    chloroform 989.44
    n-propyl acetate 116.33
    acetic acid 379.86
    dichloromethane 738.22
    cyclohexanone 320.73
    propylene glycol 225.45
    isopropyl acetate 136.11
    DMAc 833.16
    2-ethoxyethanol 347.95
    isopentanol 162.35
    n-heptane 20.37
    ethyl formate 225.82
    1,2-dichloroethane 332.89
    n-hexanol 127.02
    2-methoxyethanol 549.44
    isobutyl acetate 70.13
    tetrachloromethane 208.04
    n-pentyl acetate 91.93
    transcutol 466.29
    n-heptanol 92.87
    ethylbenzene 70.4
    MIBK 103.77
    2-propoxyethanol 254.54
    tert-butanol 207.35
    MTBE 170.57
    2-butoxyethanol 174.0
    propionic acid 326.79
    o-xylene 144.88
    formic acid 304.29
    diethyl ether 252.07
    m-xylene 123.08
    p-xylene 102.21
    chlorobenzene 274.51
    dimethyl carbonate 184.9
    n-octane 9.38
    formamide 471.32
    cyclopentanone 380.95
    2-pentanone 234.36
    anisole 215.93
    cyclopentyl methyl ether 225.02
    gamma-butyrolactone 410.02
    1-methoxy-2-propanol 356.27
    pyridine 540.16
    3-pentanone 227.02
    furfural 512.76
    n-dodecane 8.36
    diethylene glycol 222.75
    diisopropyl ether 52.94
    tert-amyl alcohol 196.38
    acetylacetone 246.77
    n-hexadecane 9.26
    acetophenone 193.49
    methyl propionate 298.32
    isopentyl acetate 76.0
    trichloroethylene 725.21
    n-nonanol 74.96
    cyclohexanol 196.47
    benzyl alcohol 206.39
    2-ethylhexanol 70.47
    isooctanol 66.98
    dipropyl ether 88.69
    1,2-dichlorobenzene 222.42
    ethyl lactate 77.45
    propylene carbonate 202.17
    n-methylformamide 526.7
    2-pentanol 153.9
    n-pentane 28.88
    1-propoxy-2-propanol 166.36
    1-methoxy-2-propyl acetate 132.51
    2-(2-methoxypropoxy) propanol 124.33
    mesitylene 63.13
    ε-caprolactone 259.99
    p-cymene 47.5
    epichlorohydrin 456.66
    1,1,1-trichloroethane 417.63
    2-aminoethanol 325.3
    morpholine-4-carbaldehyde 635.13
    sulfolane 338.46
    2,2,4-trimethylpentane 15.85
    2-methyltetrahydrofuran 324.5
    n-hexyl acetate 109.22
    isooctane 8.66
    2-(2-butoxyethoxy)ethanol 179.72
    sec-butyl acetate 77.93
    tert-butyl acetate 106.03
    decalin 16.57
    glycerin 282.0
    diglyme 325.97
    acrylic acid 320.27
    isopropyl myristate 44.77
    n-butyric acid 271.76
    acetyl acetate 177.44
    di(2-ethylhexyl) phthalate 52.7
    ethyl propionate 114.23
    nitromethane 699.55
    1,2-diethoxyethane 167.06
    benzonitrile 226.12
    trioctyl phosphate 34.48
    1-bromopropane 198.65
    gamma-valerolactone 536.09
    n-decanol 54.35
    triethyl phosphate 49.97
    4-methyl-2-pentanol 71.34
    propionitrile 289.91
    vinylene carbonate 252.6
    1,1,2-trichlorotrifluoroethane 460.73
    DMS 114.48
    cumene 46.61
    2-octanol 59.07
    2-hexanone 130.99
    octyl acetate 62.69
    limonene 66.65
    1,2-dimethoxyethane 345.68
    ethyl orthosilicate 49.61
    tributyl phosphate 36.13
    diacetone alcohol 151.28
    N,N-dimethylaniline 144.97
    acrylonitrile 372.69
    aniline 343.28
    1,3-propanediol 289.72
    bromobenzene 255.75
    dibromomethane 447.4
    1,1,2,2-tetrachloroethane 540.12
    2-methyl-cyclohexyl acetate 65.78
    tetrabutyl urea 54.72
    diisobutyl methanol 39.46
    2-phenylethanol 156.08
    styrene 107.19
    dioctyl adipate 61.51
    dimethyl sulfate 266.89
    ethyl butyrate 81.0
    methyl lactate 170.27
    butyl lactate 75.0
    diethyl carbonate 60.64
    propanediol butyl ether 133.71
    triethyl orthoformate 68.12
    p-tert-butyltoluene 45.36
    methyl 4-tert-butylbenzoate 114.17
    morpholine 584.37
    tert-butylamine 136.34
    n-dodecanol 40.98
    dimethoxymethane 402.45
    ethylene carbonate 192.3
    cyrene 156.92
    2-ethoxyethyl acetate 161.59
    2-ethylhexyl acetate 67.13
    1,2,4-trichlorobenzene 298.21
    4-methylpyridine 487.91
    dibutyl ether 70.88
    2,6-dimethyl-4-heptanol 39.46
    DEF 348.89
    dimethyl isosorbide 178.63
    tetrachloroethylene 400.24
    eugenol 137.22
    triacetin 135.69
    span 80 113.15
    1,4-butanediol 151.88
    1,1-dichloroethane 456.13
    2-methyl-1-pentanol 124.79
    methyl formate 344.04
    2-methyl-1-butanol 186.73
    n-decane 13.55
    butyronitrile 240.12
    3,7-dimethyl-1-octanol 64.94
    1-chlorooctane 50.26
    1-chlorotetradecane 22.27
    n-nonane 12.35
    undecane 10.35
    tert-butylcyclohexane 15.14
    cyclooctane 12.63
    cyclopentanol 216.04
    tetrahydropyran 338.23
    tert-amyl methyl ether 147.81
    2,5,8-trioxanonane 231.15
    1-hexene 56.99
    2-isopropoxyethanol 207.07
    2,2,2-trifluoroethanol 258.12
    methyl butyrate 144.54

    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