Methyl 4-methylthiazole-5-carboxylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    81569-44-0

    Molecular formula
    C6H7NO2S

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

    Safety labels

  • Odor profile

    Fragrance
    Nutty 59.61%
    Roasted 54.7%
    Meaty 42.46%
    Sulfurous 37.85%
    Fruity 31.18%
    Coffee 30.87%
    Burnt 30.83%
    Cooked 30.5%
    Hazelnut 27.41%
    Popcorn 27.22%

     

    Flavor
    Fruity 50.08%
    Nutty 43.69%
    Roasted 30.51%
    Earthy 27.06%
    Musty 26.46%
    Roast 26.07%
    Hazelnut 25.74%
    Potato 24.54%
    Popcorn 23.99%
    Coffee 22.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.3 (weak acid)

    Molecular weight
    157.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 87.51 ˚C est.

  • Synonyms

    • Methyl 4-methylthiazole-5-carboxylate
    • 81569-44-0
    • methyl 4-methyl-1,3-thiazole-5-carboxylate
    • MFCD00129998
    • Methyl 4-methyl-5-thiazolecarboxylate
    • 4-Methylthiazole-5-carboxylic acid methyl ester
    • 5-Thiazolecarboxylic acid, 4-methyl-, methyl ester
    • METHYL4-METHYL-5-THIAZOLECARBOXYLATE
    • METHYL4-METHYLTHIAZOLE-5-CARBOXYLATE
    • SCHEMBL255470
    • SCHEMBL2447674
    • DTXSID501002058
    • ALBB-032747
    • AKOS005146043
    • AC-7645
    • CS-W002405
    • FM43750
    • MS-2142
    • SY030961
    • DB-008635
    • A10000
    • 569M440
    • AN-970/40920407
    • F076969
    • Methyl 4-methylthiazole-5-carboxylate 81569-44-0
    • 81569-44-0

  • Applications

    Methyl 4-methylthiazole-5-carboxylate (CAS 81569-44-0) is primarily used as an aroma compound and a precursor in the fragrance and flavor industries, providing meat-like and roasted notes associated with thiazole motifs. It is also employed as a fragrance ingredient in cosmetics and personal care products, and may serve as an odorant additive in household and cleaning products. In industrial manufacturing, it acts as an intermediate in the synthesis of thiazole-containing specialty chemicals and related derivatives for various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 129.47
    methanol 221.62
    isopropanol 101.28
    water 14.58
    ethyl acetate 144.74
    n-propanol 102.79
    acetone 291.26
    n-butanol 91.07
    acetonitrile 192.43
    DMF 919.59
    toluene 58.82
    isobutanol 79.94
    1,4-dioxane 313.39
    methyl acetate 170.36
    THF 383.31
    2-butanone 181.3
    n-pentanol 76.84
    sec-butanol 89.9
    n-hexane 5.97
    ethylene glycol 170.42
    NMP 616.72
    cyclohexane 6.87
    DMSO 708.35
    n-butyl acetate 69.81
    n-octanol 55.59
    chloroform 342.2
    n-propyl acetate 89.6
    acetic acid 183.26
    dichloromethane 333.39
    cyclohexanone 246.24
    propylene glycol 118.32
    isopropyl acetate 93.87
    DMAc 563.96
    2-ethoxyethanol 222.55
    isopentanol 75.91
    n-heptane 5.93
    ethyl formate 140.86
    1,2-dichloroethane 221.03
    n-hexanol 65.63
    2-methoxyethanol 423.93
    isobutyl acetate 61.44
    tetrachloromethane 57.35
    n-pentyl acetate 65.84
    transcutol 198.24
    n-heptanol 49.66
    ethylbenzene 42.31
    MIBK 105.68
    2-propoxyethanol 179.9
    tert-butanol 121.99
    MTBE 90.87
    2-butoxyethanol 112.27
    propionic acid 126.78
    o-xylene 53.33
    formic acid 160.53
    diethyl ether 94.36
    m-xylene 54.94
    p-xylene 60.69
    chlorobenzene 123.6
    dimethyl carbonate 145.07
    n-octane 4.35
    formamide 258.85
    cyclopentanone 371.59
    2-pentanone 162.62
    anisole 134.85
    cyclopentyl methyl ether 160.09
    gamma-butyrolactone 413.42
    1-methoxy-2-propanol 304.88
    pyridine 202.38
    3-pentanone 123.47
    furfural 426.03
    n-dodecane 5.53
    diethylene glycol 242.81
    diisopropyl ether 33.04
    tert-amyl alcohol 104.71
    acetylacetone 244.9
    n-hexadecane 6.47
    acetophenone 139.23
    methyl propionate 169.25
    isopentyl acetate 66.77
    trichloroethylene 451.06
    n-nonanol 49.42
    cyclohexanol 101.59
    benzyl alcohol 125.33
    2-ethylhexanol 46.32
    isooctanol 44.8
    dipropyl ether 47.55
    1,2-dichlorobenzene 132.77
    ethyl lactate 92.55
    propylene carbonate 193.16
    n-methylformamide 364.19
    2-pentanol 69.58
    n-pentane 5.55
    1-propoxy-2-propanol 110.63
    1-methoxy-2-propyl acetate 109.1
    2-(2-methoxypropoxy) propanol 99.0
    mesitylene 39.63
    ε-caprolactone 194.61
    p-cymene 31.47
    epichlorohydrin 414.4
    1,1,1-trichloroethane 203.0
    2-aminoethanol 165.09
    morpholine-4-carbaldehyde 526.62
    sulfolane 623.25
    2,2,4-trimethylpentane 6.91
    2-methyltetrahydrofuran 207.9
    n-hexyl acetate 88.2
    isooctane 5.71
    2-(2-butoxyethoxy)ethanol 120.46
    sec-butyl acetate 61.91
    tert-butyl acetate 108.89
    decalin 9.69
    glycerin 252.39
    diglyme 224.85
    acrylic acid 158.2
    isopropyl myristate 43.63
    n-butyric acid 135.72
    acetyl acetate 105.88
    di(2-ethylhexyl) phthalate 51.04
    ethyl propionate 94.06
    nitromethane 468.53
    1,2-diethoxyethane 70.88
    benzonitrile 149.43
    trioctyl phosphate 41.07
    1-bromopropane 85.26
    gamma-valerolactone 461.86
    n-decanol 38.7
    triethyl phosphate 56.83
    4-methyl-2-pentanol 49.93
    propionitrile 131.29
    vinylene carbonate 202.09
    1,1,2-trichlorotrifluoroethane 375.75
    DMS 97.24
    cumene 34.97
    2-octanol 43.57
    2-hexanone 105.22
    octyl acetate 55.13
    limonene 40.49
    1,2-dimethoxyethane 297.36
    ethyl orthosilicate 50.29
    tributyl phosphate 43.14
    diacetone alcohol 161.82
    N,N-dimethylaniline 106.93
    acrylonitrile 219.93
    aniline 109.8
    1,3-propanediol 196.86
    bromobenzene 116.8
    dibromomethane 182.32
    1,1,2,2-tetrachloroethane 350.49
    2-methyl-cyclohexyl acetate 65.44
    tetrabutyl urea 65.14
    diisobutyl methanol 34.95
    2-phenylethanol 95.13
    styrene 53.7
    dioctyl adipate 59.18
    dimethyl sulfate 315.4
    ethyl butyrate 68.72
    methyl lactate 163.7
    butyl lactate 68.78
    diethyl carbonate 54.86
    propanediol butyl ether 111.42
    triethyl orthoformate 56.9
    p-tert-butyltoluene 33.88
    methyl 4-tert-butylbenzoate 111.64
    morpholine 316.89
    tert-butylamine 67.85
    n-dodecanol 31.25
    dimethoxymethane 368.85
    ethylene carbonate 153.31
    cyrene 161.48
    2-ethoxyethyl acetate 86.87
    2-ethylhexyl acetate 56.02
    1,2,4-trichlorobenzene 166.53
    4-methylpyridine 203.28
    dibutyl ether 41.29
    2,6-dimethyl-4-heptanol 34.95
    DEF 238.09
    dimethyl isosorbide 175.02
    tetrachloroethylene 228.86
    eugenol 132.93
    triacetin 95.27
    span 80 86.78
    1,4-butanediol 108.26
    1,1-dichloroethane 182.58
    2-methyl-1-pentanol 67.79
    methyl formate 320.11
    2-methyl-1-butanol 75.83
    n-decane 8.0
    butyronitrile 120.3
    3,7-dimethyl-1-octanol 46.3
    1-chlorooctane 35.55
    1-chlorotetradecane 17.31
    n-nonane 7.03
    undecane 6.56
    tert-butylcyclohexane 10.1
    cyclooctane 3.87
    cyclopentanol 137.41
    tetrahydropyran 153.3
    tert-amyl methyl ether 80.05
    2,5,8-trioxanonane 157.44
    1-hexene 27.67
    2-isopropoxyethanol 136.62
    2,2,2-trifluoroethanol 137.83
    methyl butyrate 126.09

    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