2-(4-Methyl-5-thiazolyl)ethyl formate

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  • Identifiers

    CAS number
    90731-56-9

    Molecular formula
    C7H9NO2S

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

  • Odor profile

    Fragrance
    Nutty 81.05%
    Roasted 68.95%
    Meaty 56.67%
    Popcorn 39.35%
    Coffee 33.62%
    Cooked 32.9%
    Beefy 32.88%
    Hazelnut 32.8%
    Sulfurous 31.29%
    Fatty 28.24%

     

    Flavor
    Fruity 56.37%
    Nutty 40.44%
    Green 40.25%
    Earthy 33.32%
    Fatty 32.39%
    Floral 30.28%
    Musty 27.99%
    Vegetable 27.2%
    Sweet 25.09%
    Roasted 24.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.81 (weak acid)

    Molecular weight
    171.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 106.32 ˚C est.

    Solubility expt.

    • Soluble in non-polar solvents; slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-(4-Methylthiazol-5-yl)ethyl formate
    • 90731-56-9
    • 4-Methyl-5-thiazolylethyl formate
    • 2-(4-methyl-1,3-thiazol-5-yl)ethyl formate
    • FEMA No. 4275
    • 2-(4-Methyl-5-thiazolyl)ethyl formate
    • 64NY5Q2QR9
    • 5-Thiazoleethanol, 4-methyl-, 5-formate
    • 5-Thiazoleethanol, 4-methyl-, formate (ester)
    • 2-(4-Methyl-5-thiazolyl) ethyl formate [FHFI]
    • 2-(5-Methyl-4-thiazolyl)ethyl formate
    • 2-(4-Methyl-5-thiazolyl) ethyl formate
    • UNII-64NY5Q2QR9
    • sulfuryl formate
    • MFCD23701666
    • SCHEMBL323587
    • DTXSID60920210
    • CHEBI:187477
    • 2-(4-Methylthiazol-5-yl)ethylformate
    • AKOS016010721
    • DS-5719
    • CS-0186423
    • 2-(4-methyl-1,3-thiazol-5-yl)ethyl ormate
    • D82571
    • Q27263766
    • 639-211-3

  • Applications

    2-(4-Methyl-5-thiazolyl)ethyl formate, CAS 90731-56-9, is primarily used as an intermediate in the synthesis of thiazole-containing fragrance compounds. In practice, it commonly serves as a fragrance ingredient or precursor in the fragrance and flavor industries, and it may also be used in cosmetics and personal care products as a fragrance component. It is evaluated as a precursor for thiazole-derived flavor compounds in food and beverage applications, or as a building block for specialty chemicals in industrial manufacturing. In household products and cleaners, it can serve as an odor additive to improve scent profiles, subject to local regulations and formulation limits. It can also support research and development in fragrance chemistry and act as a chemical intermediate for further synthesis in various industrial contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.55
    methanol 16.95
    isopropanol 4.92
    water 0.8
    ethyl acetate 16.06
    n-propanol 5.91
    acetone 22.23
    n-butanol 5.68
    acetonitrile 17.09
    DMF 123.18
    toluene 12.3
    isobutanol 4.57
    1,4-dioxane 52.27
    methyl acetate 26.07
    THF 41.57
    2-butanone 25.2
    n-pentanol 5.71
    sec-butanol 5.72
    n-hexane 0.24
    ethylene glycol 9.51
    NMP 166.49
    cyclohexane 1.17
    DMSO 194.07
    n-butyl acetate 15.5
    n-octanol 3.29
    chloroform 50.23
    n-propyl acetate 12.98
    acetic acid 28.67
    dichloromethane 65.67
    cyclohexanone 49.99
    propylene glycol 6.62
    isopropyl acetate 10.57
    DMAc 169.18
    2-ethoxyethanol 31.59
    isopentanol 6.65
    n-heptane 0.52
    ethyl formate 18.92
    1,2-dichloroethane 45.73
    n-hexanol 6.44
    2-methoxyethanol 47.07
    isobutyl acetate 7.41
    tetrachloromethane 8.91
    n-pentyl acetate 9.41
    transcutol 130.52
    n-heptanol 4.26
    ethylbenzene 8.28
    MIBK 10.96
    2-propoxyethanol 24.67
    tert-butanol 9.86
    MTBE 7.56
    2-butoxyethanol 16.4
    propionic acid 16.25
    o-xylene 16.62
    formic acid 39.78
    diethyl ether 6.54
    m-xylene 9.81
    p-xylene 12.09
    chlorobenzene 31.49
    dimethyl carbonate 17.16
    n-octane 0.23
    formamide 81.85
    cyclopentanone 52.78
    2-pentanone 14.13
    anisole 33.29
    cyclopentyl methyl ether 17.12
    gamma-butyrolactone 67.88
    1-methoxy-2-propanol 25.87
    pyridine 60.77
    3-pentanone 15.87
    furfural 130.52
    n-dodecane 0.25
    diethylene glycol 35.44
    diisopropyl ether 2.7
    tert-amyl alcohol 11.16
    acetylacetone 32.44
    n-hexadecane 0.3
    acetophenone 45.08
    methyl propionate 19.24
    isopentyl acetate 16.02
    trichloroethylene 114.31
    n-nonanol 3.72
    cyclohexanol 10.26
    benzyl alcohol 27.4
    2-ethylhexanol 6.41
    isooctanol 4.19
    dipropyl ether 6.12
    1,2-dichlorobenzene 42.51
    ethyl lactate 13.59
    propylene carbonate 39.96
    n-methylformamide 48.3
    2-pentanol 3.76
    n-pentane 0.28
    1-propoxy-2-propanol 18.16
    1-methoxy-2-propyl acetate 27.73
    2-(2-methoxypropoxy) propanol 34.86
    mesitylene 6.37
    ε-caprolactone 43.53
    p-cymene 7.52
    epichlorohydrin 80.1
    1,1,1-trichloroethane 29.72
    2-aminoethanol 12.86
    morpholine-4-carbaldehyde 135.47
    sulfolane 145.36
    2,2,4-trimethylpentane 0.53
    2-methyltetrahydrofuran 29.17
    n-hexyl acetate 11.11
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 34.88
    sec-butyl acetate 9.18
    tert-butyl acetate 15.3
    decalin 1.18
    glycerin 24.6
    diglyme 78.65
    acrylic acid 26.98
    isopropyl myristate 5.92
    n-butyric acid 16.77
    acetyl acetate 17.21
    di(2-ethylhexyl) phthalate 12.37
    ethyl propionate 12.25
    nitromethane 93.7
    1,2-diethoxyethane 23.45
    benzonitrile 33.99
    trioctyl phosphate 6.04
    1-bromopropane 10.27
    gamma-valerolactone 100.88
    n-decanol 3.02
    triethyl phosphate 16.3
    4-methyl-2-pentanol 3.48
    propionitrile 11.6
    vinylene carbonate 44.74
    1,1,2-trichlorotrifluoroethane 96.9
    DMS 24.49
    cumene 6.61
    2-octanol 2.6
    2-hexanone 14.38
    octyl acetate 7.67
    limonene 9.22
    1,2-dimethoxyethane 57.33
    ethyl orthosilicate 13.43
    tributyl phosphate 8.99
    diacetone alcohol 25.94
    N,N-dimethylaniline 28.12
    acrylonitrile 25.32
    aniline 28.75
    1,3-propanediol 16.38
    bromobenzene 29.68
    dibromomethane 31.7
    1,1,2,2-tetrachloroethane 79.08
    2-methyl-cyclohexyl acetate 18.83
    tetrabutyl urea 14.77
    diisobutyl methanol 4.75
    2-phenylethanol 21.1
    styrene 11.76
    dioctyl adipate 13.9
    dimethyl sulfate 56.09
    ethyl butyrate 16.1
    methyl lactate 22.33
    butyl lactate 12.72
    diethyl carbonate 16.08
    propanediol butyl ether 16.47
    triethyl orthoformate 15.19
    p-tert-butyltoluene 6.98
    methyl 4-tert-butylbenzoate 27.89
    morpholine 50.41
    tert-butylamine 4.95
    n-dodecanol 2.43
    dimethoxymethane 33.86
    ethylene carbonate 28.94
    cyrene 50.37
    2-ethoxyethyl acetate 22.05
    2-ethylhexyl acetate 13.67
    1,2,4-trichlorobenzene 58.29
    4-methylpyridine 55.59
    dibutyl ether 4.82
    2,6-dimethyl-4-heptanol 4.75
    DEF 38.44
    dimethyl isosorbide 68.79
    tetrachloroethylene 57.89
    eugenol 30.97
    triacetin 24.51
    span 80 20.95
    1,4-butanediol 8.24
    1,1-dichloroethane 23.42
    2-methyl-1-pentanol 7.37
    methyl formate 39.75
    2-methyl-1-butanol 5.98
    n-decane 0.37
    butyronitrile 10.03
    3,7-dimethyl-1-octanol 5.46
    1-chlorooctane 2.27
    1-chlorotetradecane 1.2
    n-nonane 0.29
    undecane 0.29
    tert-butylcyclohexane 0.91
    cyclooctane 0.48
    cyclopentanol 11.62
    tetrahydropyran 19.76
    tert-amyl methyl ether 8.77
    2,5,8-trioxanonane 68.11
    1-hexene 1.47
    2-isopropoxyethanol 18.91
    2,2,2-trifluoroethanol 27.46
    methyl butyrate 19.07

    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