5-Methylthiazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3581-89-3

    Molecular formula
    C4H5NS

    SMILES
    CC1=CN=CS1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 76.77%
    Roasted 67.28%
    Meaty 66.03%
    Sulfurous 61.27%
    Green 56.68%
    Vegetable 51.06%
    Coffee 50.45%
    Burnt 43.73%
    Alliaceous 43.66%
    Cocoa 43.05%

     

    Flavor
    Nutty 76.3%
    Green 71.93%
    Roasted 52.7%
    Vegetable 49.51%
    Coffee 39.69%
    Cocoa 38.66%
    Tomato 32.09%
    Sulfur 31.1%
    Peanut 30.97%
    Hazelnut 30.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    4.9 (weak acid)

    Molecular weight
    99.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    156°C

    Flash point

    • 31.6 ˚C est.

  • Synonyms

    • 5-Methylthiazole
    • 3581-89-3
    • 5-Methyl-1,3-thiazole
    • Thiazole, 5-methyl-
    • 5-methyl-thiazole
    • MFCD00005335
    • DTXSID80189347
    • 5-methyl thiazole
    • 5-Methylthiazole, 97%
    • 5-Methyl-1,3-thiazole #
    • SCHEMBL5007924
    • DTXCID10111838
    • AKOS015897351
    • CS-W007489
    • BP-12694
    • DB-007089
    • M2234
    • EN300-82995
    • InChI=1/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H
    • 626-260-0

  • Applications

    5-Methylthiazole (CAS 3581-89-3) is primarily used as an odor and flavor building block in consumer formulations, contributing savory notes in flavors and serving as a fragrance ingredient in perfumery and cosmetics. It is also employed as a synthetic intermediate in organic chemistry for the development of pharmaceuticals and agricultural chemicals. In cosmetics and personal care, 5-Methylthiazole may function as a fragrance component; in household products and cleaners, it can contribute to aroma performance. Additionally, it is considered an industrial intermediate, supporting chemical synthesis workflows as a building block for various processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 153.74
    methanol 206.13
    isopropanol 95.21
    water 50.14
    ethyl acetate 109.95
    n-propanol 121.52
    acetone 133.26
    n-butanol 119.79
    acetonitrile 129.46
    DMF 258.48
    toluene 63.53
    isobutanol 89.24
    1,4-dioxane 140.49
    methyl acetate 141.34
    THF 155.83
    2-butanone 127.17
    n-pentanol 90.61
    sec-butanol 99.2
    n-hexane 4.71
    ethylene glycol 82.26
    NMP 207.38
    cyclohexane 5.98
    DMSO 132.04
    n-butyl acetate 85.0
    n-octanol 56.57
    chloroform 379.88
    n-propyl acetate 75.37
    acetic acid 259.57
    dichloromethane 231.59
    cyclohexanone 116.85
    propylene glycol 90.6
    isopropyl acetate 65.66
    DMAc 263.79
    2-ethoxyethanol 168.82
    isopentanol 101.32
    n-heptane 10.21
    ethyl formate 106.6
    1,2-dichloroethane 100.3
    n-hexanol 91.8
    2-methoxyethanol 238.22
    isobutyl acetate 55.47
    tetrachloromethane 81.92
    n-pentyl acetate 71.29
    transcutol 346.59
    n-heptanol 78.6
    ethylbenzene 30.74
    MIBK 72.01
    2-propoxyethanol 161.26
    tert-butanol 104.7
    MTBE 76.28
    2-butoxyethanol 143.09
    propionic acid 140.21
    o-xylene 51.93
    formic acid 202.8
    diethyl ether 71.81
    m-xylene 49.55
    p-xylene 48.88
    chlorobenzene 100.95
    dimethyl carbonate 73.16
    n-octane 4.76
    formamide 247.5
    cyclopentanone 151.05
    2-pentanone 99.84
    anisole 101.66
    cyclopentyl methyl ether 84.12
    gamma-butyrolactone 177.81
    1-methoxy-2-propanol 162.9
    pyridine 160.31
    3-pentanone 80.87
    furfural 239.49
    n-dodecane 4.28
    diethylene glycol 134.37
    diisopropyl ether 23.81
    tert-amyl alcohol 109.33
    acetylacetone 108.25
    n-hexadecane 4.59
    acetophenone 108.58
    methyl propionate 104.55
    isopentyl acetate 71.76
    trichloroethylene 299.5
    n-nonanol 52.36
    cyclohexanol 75.2
    benzyl alcohol 109.2
    2-ethylhexanol 63.88
    isooctanol 62.3
    dipropyl ether 52.14
    1,2-dichlorobenzene 103.17
    ethyl lactate 58.64
    propylene carbonate 124.58
    n-methylformamide 179.39
    2-pentanol 82.71
    n-pentane 7.73
    1-propoxy-2-propanol 125.55
    1-methoxy-2-propyl acetate 93.53
    2-(2-methoxypropoxy) propanol 101.78
    mesitylene 28.92
    ε-caprolactone 116.45
    p-cymene 35.37
    epichlorohydrin 174.31
    1,1,1-trichloroethane 156.39
    2-aminoethanol 142.22
    morpholine-4-carbaldehyde 224.29
    sulfolane 148.69
    2,2,4-trimethylpentane 9.44
    2-methyltetrahydrofuran 118.6
    n-hexyl acetate 75.61
    isooctane 5.96
    2-(2-butoxyethoxy)ethanol 144.49
    sec-butyl acetate 52.96
    tert-butyl acetate 69.79
    decalin 6.38
    glycerin 141.69
    diglyme 233.44
    acrylic acid 161.74
    isopropyl myristate 31.04
    n-butyric acid 164.69
    acetyl acetate 86.22
    di(2-ethylhexyl) phthalate 41.81
    ethyl propionate 62.16
    nitromethane 300.87
    1,2-diethoxyethane 101.68
    benzonitrile 116.79
    trioctyl phosphate 26.75
    1-bromopropane 56.31
    gamma-valerolactone 202.65
    n-decanol 38.7
    triethyl phosphate 38.71
    4-methyl-2-pentanol 52.57
    propionitrile 95.45
    vinylene carbonate 149.31
    1,1,2-trichlorotrifluoroethane 234.23
    DMS 60.88
    cumene 27.47
    2-octanol 47.46
    2-hexanone 78.28
    octyl acetate 44.55
    limonene 45.44
    1,2-dimethoxyethane 150.17
    ethyl orthosilicate 40.29
    tributyl phosphate 29.85
    diacetone alcohol 106.09
    N,N-dimethylaniline 80.61
    acrylonitrile 136.5
    aniline 127.79
    1,3-propanediol 146.96
    bromobenzene 86.03
    dibromomethane 133.6
    1,1,2,2-tetrachloroethane 214.27
    2-methyl-cyclohexyl acetate 59.96
    tetrabutyl urea 39.18
    diisobutyl methanol 34.82
    2-phenylethanol 106.05
    styrene 42.21
    dioctyl adipate 46.3
    dimethyl sulfate 106.06
    ethyl butyrate 69.69
    methyl lactate 84.85
    butyl lactate 67.25
    diethyl carbonate 49.17
    propanediol butyl ether 105.25
    triethyl orthoformate 55.57
    p-tert-butyltoluene 33.63
    methyl 4-tert-butylbenzoate 90.22
    morpholine 156.59
    tert-butylamine 67.09
    n-dodecanol 28.79
    dimethoxymethane 128.88
    ethylene carbonate 105.24
    cyrene 105.98
    2-ethoxyethyl acetate 100.8
    2-ethylhexyl acetate 58.6
    1,2,4-trichlorobenzene 137.25
    4-methylpyridine 164.27
    dibutyl ether 43.39
    2,6-dimethyl-4-heptanol 34.82
    DEF 126.04
    dimethyl isosorbide 134.26
    tetrachloroethylene 174.26
    eugenol 113.43
    triacetin 91.33
    span 80 90.59
    1,4-butanediol 77.52
    1,1-dichloroethane 138.56
    2-methyl-1-pentanol 85.39
    methyl formate 134.74
    2-methyl-1-butanol 102.37
    n-decane 6.83
    butyronitrile 96.15
    3,7-dimethyl-1-octanol 52.88
    1-chlorooctane 28.64
    1-chlorotetradecane 11.84
    n-nonane 6.1
    undecane 5.23
    tert-butylcyclohexane 8.35
    cyclooctane 3.32
    cyclopentanol 85.69
    tetrahydropyran 91.9
    tert-amyl methyl ether 70.62
    2,5,8-trioxanonane 164.04
    1-hexene 21.08
    2-isopropoxyethanol 117.04
    2,2,2-trifluoroethanol 176.92
    methyl butyrate 83.7

    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