4-Methylthiazole

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  • Identifiers

    CAS number
    693-95-8

    Molecular formula
    C4H5NS

    SMILES
    CC1=CSC=N1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 74.74%
    Nutty 70.18%
    Vegetable 68.07%
    Meaty 66.69%
    Sulfurous 58.67%
    Roasted 52.02%
    Alliaceous 45.54%
    Tomato 44.22%
    Cocoa 42.64%
    Coffee 38.72%

     

    Flavor
    Green 82.53%
    Nutty 80.37%
    Vegetable 52.55%
    Roasted 51.27%
    Tomato 36.95%
    Cocoa 35.87%
    Coffee 33.51%
    Hazelnut 30.08%
    Peanut 29.79%
    Sulfur 29.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.4 (weak acid)

    Molecular weight
    99.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 132 °C @ 743 MM HG
    • 133.00 to 134.00 °C. @ 760.00 mm Hg

    Flash point

    • 30.68 ˚C est.

    Solubility expt.

    • SOL IN WATER, ALCOHOL, ETHER
    • Slightly soluble in water; Soluble in fats, most organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 4-METHYLTHIAZOLE
    • 693-95-8
    • 4-Methyl-1,3-thiazole
    • Thiazole, 4-methyl-
    • 4-methyl thiazole
    • 4-Methyl-Thiazole
    • FEMA No. 3716
    • CHEBI:35626
    • HSDB 5747
    • EINECS 211-764-1
    • MFCD00005340
    • NSC 42976
    • methylthiazole, 4-
    • BRN 0105228
    • DTXSID5027300
    • UNII-X8S174990R
    • NSC-42976
    • X8S174990R
    • DTXCID307300
    • 4-METHYLTHIAZOLE [FHFI]
    • 4-METHYLTHIAZOLE [HSDB]
    • CHEMBL1566946
    • QMHIMXFNBOYPND-UHFFFAOYSA-
    • 4-27-00-00969 (Beilstein Handbook Reference)
    • 4-methyl-5H-1,3-thiazole
    • 4-methyithiazole
    • Thiazole, 4methyl
    • 4 -methyl-thiazole
    • 4-Methylthiazole, 99%
    • 4-Methyl-1,3-thiazole #
    • MLS002152888
    • FEMA 3716
    • 4-Methylthiazole, >=98%, FG
    • HMS3039D11
    • BCP30873
    • NSC42976
    • Tox21_200124
    • BDBM50016815
    • 4-Methylthiazole, analytical standard
    • AKOS000121484
    • CS-W001245
    • GS-5935
    • SB40541
    • NCGC00091734-01
    • NCGC00091734-02
    • NCGC00257678-01
    • CAS-693-95-8
    • SMR001224500
    • SY004152
    • DB-016076
    • M0894
    • NS00022698
    • EN300-16602
    • A19064
    • P16589
    • Q27116531
    • Z56347201
    • F0001-1802
    • 4-Methyl-1,3-thiazole;4-methyl thiazole;Thiazole, 4-methyl-
    • 211-764-1

  • Applications

    4-Methylthiazole (CAS 693-95-8) is a sulfur- and nitrogen-containing heterocycle with a characteristic roasted caramel note, widely employed as a flavoring agent in coffee, cocoa, grilled-meat and processed foods; it also serves as an analytical reference in food science, a precursor for synthesizing thiazole-based pharmaceuticals and veterinary drugs, a fragrance component in tobacco-toned perfumes, a flavor modifier in cigarettes, an umami enhancer in seasoning formulations, an intermediate building block for crop-protection chemicals, a corrosion-inhibitor additive in metalworking fluids, and a model compound for studying Maillard reaction pathways, especially those governing flavor evolution during thermal processing of foods.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 319.98
    methanol 532.83
    isopropanol 201.81
    water 47.7
    ethyl acetate 234.55
    n-propanol 240.91
    acetone 490.56
    n-butanol 182.94
    acetonitrile 375.36
    DMF 812.82
    toluene 163.22
    isobutanol 156.11
    1,4-dioxane 507.09
    methyl acetate 345.08
    THF 369.84
    2-butanone 340.45
    n-pentanol 130.56
    sec-butanol 171.34
    n-hexane 11.44
    ethylene glycol 177.82
    NMP 621.39
    cyclohexane 22.82
    DMSO 518.13
    n-butyl acetate 76.37
    n-octanol 59.35
    chloroform 814.65
    n-propyl acetate 89.04
    acetic acid 326.08
    dichloromethane 599.06
    cyclohexanone 297.81
    propylene glycol 188.13
    isopropyl acetate 100.63
    DMAc 786.26
    2-ethoxyethanol 264.5
    isopentanol 115.3
    n-heptane 13.96
    ethyl formate 172.56
    1,2-dichloroethane 296.26
    n-hexanol 95.98
    2-methoxyethanol 455.01
    isobutyl acetate 53.6
    tetrachloromethane 157.34
    n-pentyl acetate 75.62
    transcutol 433.21
    n-heptanol 69.38
    ethylbenzene 47.2
    MIBK 84.03
    2-propoxyethanol 202.82
    tert-butanol 156.57
    MTBE 123.36
    2-butoxyethanol 141.24
    propionic acid 269.03
    o-xylene 104.04
    formic acid 236.09
    diethyl ether 185.37
    m-xylene 83.65
    p-xylene 70.76
    chlorobenzene 215.23
    dimethyl carbonate 140.38
    n-octane 6.17
    formamide 375.16
    cyclopentanone 388.14
    2-pentanone 201.16
    anisole 156.51
    cyclopentyl methyl ether 179.28
    gamma-butyrolactone 378.51
    1-methoxy-2-propanol 289.61
    pyridine 472.8
    3-pentanone 198.03
    furfural 448.88
    n-dodecane 5.73
    diethylene glycol 192.21
    diisopropyl ether 35.41
    tert-amyl alcohol 138.37
    acetylacetone 215.63
    n-hexadecane 6.31
    acetophenone 149.74
    methyl propionate 246.25
    isopentyl acetate 58.79
    trichloroethylene 630.15
    n-nonanol 54.16
    cyclohexanol 144.67
    benzyl alcohol 156.03
    2-ethylhexanol 50.73
    isooctanol 49.12
    dipropyl ether 67.42
    1,2-dichlorobenzene 169.46
    ethyl lactate 60.28
    propylene carbonate 164.92
    n-methylformamide 447.19
    2-pentanol 105.08
    n-pentane 19.58
    1-propoxy-2-propanol 131.66
    1-methoxy-2-propyl acetate 108.88
    2-(2-methoxypropoxy) propanol 107.36
    mesitylene 41.49
    ε-caprolactone 220.61
    p-cymene 34.78
    epichlorohydrin 388.27
    1,1,1-trichloroethane 327.64
    2-aminoethanol 270.05
    morpholine-4-carbaldehyde 582.04
    sulfolane 352.38
    2,2,4-trimethylpentane 9.7
    2-methyltetrahydrofuran 275.83
    n-hexyl acetate 86.67
    isooctane 5.38
    2-(2-butoxyethoxy)ethanol 158.21
    sec-butyl acetate 54.68
    tert-butyl acetate 77.21
    decalin 11.07
    glycerin 240.66
    diglyme 275.11
    acrylic acid 274.4
    isopropyl myristate 35.6
    n-butyric acid 210.96
    acetyl acetate 131.76
    di(2-ethylhexyl) phthalate 43.76
    ethyl propionate 85.79
    nitromethane 616.73
    1,2-diethoxyethane 142.53
    benzonitrile 176.5
    trioctyl phosphate 28.84
    1-bromopropane 150.07
    gamma-valerolactone 488.62
    n-decanol 40.26
    triethyl phosphate 36.39
    4-methyl-2-pentanol 49.43
    propionitrile 247.98
    vinylene carbonate 200.39
    1,1,2-trichlorotrifluoroethane 402.87
    DMS 99.79
    cumene 32.02
    2-octanol 41.82
    2-hexanone 107.08
    octyl acetate 49.27
    limonene 49.58
    1,2-dimethoxyethane 285.41
    ethyl orthosilicate 35.97
    tributyl phosphate 31.13
    diacetone alcohol 121.2
    N,N-dimethylaniline 106.6
    acrylonitrile 328.62
    aniline 266.25
    1,3-propanediol 228.8
    bromobenzene 192.99
    dibromomethane 346.55
    1,1,2,2-tetrachloroethane 470.12
    2-methyl-cyclohexyl acetate 50.17
    tetrabutyl urea 49.07
    diisobutyl methanol 30.04
    2-phenylethanol 113.17
    styrene 74.82
    dioctyl adipate 52.07
    dimethyl sulfate 219.0
    ethyl butyrate 62.31
    methyl lactate 142.14
    butyl lactate 64.86
    diethyl carbonate 44.1
    propanediol butyl ether 116.1
    triethyl orthoformate 49.96
    p-tert-butyltoluene 32.99
    methyl 4-tert-butylbenzoate 93.91
    morpholine 510.41
    tert-butylamine 95.13
    n-dodecanol 31.11
    dimethoxymethane 323.17
    ethylene carbonate 150.45
    cyrene 128.22
    2-ethoxyethyl acetate 133.45
    2-ethylhexyl acetate 51.55
    1,2,4-trichlorobenzene 236.61
    4-methylpyridine 386.39
    dibutyl ether 54.36
    2,6-dimethyl-4-heptanol 30.04
    DEF 282.83
    dimethyl isosorbide 151.01
    tetrachloroethylene 354.47
    eugenol 108.84
    triacetin 115.27
    span 80 99.34
    1,4-butanediol 119.18
    1,1-dichloroethane 357.7
    2-methyl-1-pentanol 90.36
    methyl formate 298.41
    2-methyl-1-butanol 130.69
    n-decane 8.92
    butyronitrile 189.84
    3,7-dimethyl-1-octanol 48.81
    1-chlorooctane 36.27
    1-chlorotetradecane 16.35
    n-nonane 8.33
    undecane 6.86
    tert-butylcyclohexane 9.96
    cyclooctane 8.12
    cyclopentanol 184.94
    tetrahydropyran 277.98
    tert-amyl methyl ether 100.3
    2,5,8-trioxanonane 207.12
    1-hexene 42.6
    2-isopropoxyethanol 152.94
    2,2,2-trifluoroethanol 198.64
    methyl butyrate 109.63

    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