5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20582-55-2

    Molecular formula
    C7H9NO2S

    SMILES
    CCOC(=O)C1=C(N=CS1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 57.05%
    Nutty 56.81%
    Meaty 45.16%
    Fruity 34.05%
    Sulfurous 32.97%
    Cooked 30.99%
    Burnt 30.03%
    Coffee 29.81%
    Hazelnut 26.49%
    Popcorn 25.96%

     

    Flavor
    Fruity 63.06%
    Nutty 30.63%
    Bitter 29.98%
    Grape 28.64%
    Earthy 23.76%
    Musty 22.98%
    Roasted 22.8%
    Sweet 20.77%
    Roasted peanuts 20.52%
    Orange flower 20.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.03 (neutral)

    Molecular weight
    171.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 104.46 ˚C est.

  • Synonyms

    • 20582-55-2
    • 5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
    • RefChem:1073356
    • Ethyl 4-methylthiazole-5-carboxylate
    • Ethyl 4-methyl-1,3-thiazole-5-carboxylate
    • MFCD00626873
    • 4-Methyl-5-thiazolecarboxylic acid ethyl ester
    • 4-Methylthiazole-5-carboxylic acid ethyl ester
    • Ethyl4-methyl-5-thiazoleactate
    • NSC170824
    • 4-methyl-5-thiazolecarboxylic acid ethylester
    • 2-Thiopheneacetic acid,3-methyl-, ethyl ester
    • SCHEMBL31575
    • SCHEMBL971952
    • DTXSID00942774
    • HMS1703D02
    • ethyl4-methylthiazole-5-carboxylate
    • 4-methyl-5-(ethoxycarbonyl)thiazole
    • SBB067075
    • thiazole, 5-ethoxycarbonyl-4-methyl-
    • AKOS000672824
    • 4-Methylthiazol-5-carbonsaureathylester
    • AC-2611
    • CS-W016028
    • GC-0751
    • NSC-170824
    • SY032681
    • E1182
    • ST50217380
    • EN300-64741
    • Ethyl 4-methyl-1,3-thiazole-5-carboxylate #
    • 530M461
    • F236560
    • Thiazole-5-carboxylic acid, 4-methyl-, ethyl ester
    • Z425641066
    • 20582-55-2

  • Applications

    5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester (CAS 20582-55-2) is commonly used as an organic synthesis building block and intermediate in pharmaceutical and agrochemical development. It provides a versatile ethyl ester that can undergo transformations such as cross-coupling, amidation, and other functional-group modifications to access thiazole-containing compounds for medicinal chemistry and crop protection research. It is frequently employed as a precursor for substituted thiazole derivatives in library synthesis and lead-optimization programs. Additionally, it can serve as a starting material in heterocyclic synthesis for research-scale preparations and formulation studies, with use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.17
    methanol 157.81
    isopropanol 88.62
    water 5.02
    ethyl acetate 91.25
    n-propanol 90.85
    acetone 212.99
    n-butanol 90.02
    acetonitrile 160.76
    DMF 934.93
    toluene 65.19
    isobutanol 70.74
    1,4-dioxane 194.53
    methyl acetate 131.99
    THF 257.62
    2-butanone 129.98
    n-pentanol 78.12
    sec-butanol 80.74
    n-hexane 5.88
    ethylene glycol 88.08
    NMP 652.48
    cyclohexane 17.14
    DMSO 613.85
    n-butyl acetate 69.44
    n-octanol 67.24
    chloroform 480.58
    n-propyl acetate 73.54
    acetic acid 208.92
    dichloromethane 493.22
    cyclohexanone 270.51
    propylene glycol 88.67
    isopropyl acetate 62.06
    DMAc 588.36
    2-ethoxyethanol 145.25
    isopentanol 73.95
    n-heptane 7.21
    ethyl formate 138.0
    1,2-dichloroethane 243.82
    n-hexanol 68.85
    2-methoxyethanol 277.6
    isobutyl acetate 50.0
    tetrachloromethane 61.92
    n-pentyl acetate 68.37
    transcutol 186.22
    n-heptanol 49.37
    ethylbenzene 51.08
    MIBK 74.1
    2-propoxyethanol 142.44
    tert-butanol 101.69
    MTBE 54.23
    2-butoxyethanol 94.85
    propionic acid 131.41
    o-xylene 62.63
    formic acid 89.75
    diethyl ether 49.21
    m-xylene 55.33
    p-xylene 80.12
    chlorobenzene 168.37
    dimethyl carbonate 102.49
    n-octane 5.5
    formamide 179.48
    cyclopentanone 308.08
    2-pentanone 100.71
    anisole 123.55
    cyclopentyl methyl ether 104.47
    gamma-butyrolactone 363.19
    1-methoxy-2-propanol 200.84
    pyridine 258.72
    3-pentanone 84.55
    furfural 475.04
    n-dodecane 8.49
    diethylene glycol 162.19
    diisopropyl ether 18.77
    tert-amyl alcohol 87.36
    acetylacetone 160.17
    n-hexadecane 9.76
    acetophenone 152.67
    methyl propionate 117.82
    isopentyl acetate 66.37
    trichloroethylene 540.42
    n-nonanol 59.37
    cyclohexanol 118.55
    benzyl alcohol 149.16
    2-ethylhexanol 51.82
    isooctanol 43.14
    dipropyl ether 37.37
    1,2-dichlorobenzene 187.56
    ethyl lactate 86.95
    propylene carbonate 222.16
    n-methylformamide 290.81
    2-pentanol 55.8
    n-pentane 6.35
    1-propoxy-2-propanol 98.82
    1-methoxy-2-propyl acetate 98.16
    2-(2-methoxypropoxy) propanol 106.91
    mesitylene 39.6
    ε-caprolactone 198.11
    p-cymene 41.23
    epichlorohydrin 341.98
    1,1,1-trichloroethane 219.41
    2-aminoethanol 113.54
    morpholine-4-carbaldehyde 472.48
    sulfolane 604.32
    2,2,4-trimethylpentane 6.21
    2-methyltetrahydrofuran 138.56
    n-hexyl acetate 104.65
    isooctane 4.55
    2-(2-butoxyethoxy)ethanol 132.37
    sec-butyl acetate 46.68
    tert-butyl acetate 73.26
    decalin 13.75
    glycerin 154.55
    diglyme 230.67
    acrylic acid 176.66
    isopropyl myristate 52.27
    n-butyric acid 137.09
    acetyl acetate 90.31
    di(2-ethylhexyl) phthalate 69.83
    ethyl propionate 70.5
    nitromethane 375.96
    1,2-diethoxyethane 68.76
    benzonitrile 206.47
    trioctyl phosphate 52.61
    1-bromopropane 91.07
    gamma-valerolactone 407.67
    n-decanol 48.08
    triethyl phosphate 59.28
    4-methyl-2-pentanol 38.98
    propionitrile 123.87
    vinylene carbonate 252.3
    1,1,2-trichlorotrifluoroethane 342.04
    DMS 103.4
    cumene 42.4
    2-octanol 43.88
    2-hexanone 83.99
    octyl acetate 68.21
    limonene 55.86
    1,2-dimethoxyethane 244.27
    ethyl orthosilicate 51.68
    tributyl phosphate 58.61
    diacetone alcohol 126.77
    N,N-dimethylaniline 107.54
    acrylonitrile 221.54
    aniline 124.6
    1,3-propanediol 130.71
    bromobenzene 173.52
    dibromomethane 259.37
    1,1,2,2-tetrachloroethane 421.33
    2-methyl-cyclohexyl acetate 77.55
    tetrabutyl urea 94.12
    diisobutyl methanol 34.15
    2-phenylethanol 112.02
    styrene 71.44
    dioctyl adipate 78.42
    dimethyl sulfate 224.78
    ethyl butyrate 67.21
    methyl lactate 133.74
    butyl lactate 83.81
    diethyl carbonate 60.98
    propanediol butyl ether 106.51
    triethyl orthoformate 55.9
    p-tert-butyltoluene 38.26
    methyl 4-tert-butylbenzoate 126.98
    morpholine 216.41
    tert-butylamine 59.85
    n-dodecanol 40.42
    dimethoxymethane 228.39
    ethylene carbonate 177.33
    cyrene 182.69
    2-ethoxyethyl acetate 85.75
    2-ethylhexyl acetate 55.9
    1,2,4-trichlorobenzene 240.77
    4-methylpyridine 242.8
    dibutyl ether 51.74
    2,6-dimethyl-4-heptanol 34.15
    DEF 201.25
    dimethyl isosorbide 189.53
    tetrachloroethylene 263.57
    eugenol 150.13
    triacetin 117.2
    span 80 111.43
    1,4-butanediol 78.84
    1,1-dichloroethane 200.43
    2-methyl-1-pentanol 67.38
    methyl formate 258.4
    2-methyl-1-butanol 68.7
    n-decane 10.88
    butyronitrile 126.2
    3,7-dimethyl-1-octanol 55.46
    1-chlorooctane 46.52
    1-chlorotetradecane 24.92
    n-nonane 9.63
    undecane 9.45
    tert-butylcyclohexane 10.65
    cyclooctane 5.77
    cyclopentanol 138.8
    tetrahydropyran 127.52
    tert-amyl methyl ether 51.65
    2,5,8-trioxanonane 189.43
    1-hexene 27.67
    2-isopropoxyethanol 93.63
    2,2,2-trifluoroethanol 116.73
    methyl butyrate 113.02

    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