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

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  • Identifiers

    CAS number
    324742-96-3

    Molecular formula
    C9H13NO2S

    SMILES
    CCC(=O)OCCC1=C(N=CS1)C

  • Odor profile

    Fragrance
    Nutty 84.42%
    Roasted 77.97%
    Meaty 59.32%
    Fatty 39.22%
    Popcorn 37.91%
    Hazelnut 37.55%
    Coffee 35.38%
    Cooked 35.19%
    Beefy 32.5%
    Savory 30.54%

     

    Flavor
    Fruity 80.02%
    Sweet 48.63%
    Pineapple 38.98%
    Green 36.97%
    Tropical 33.35%
    Floral 33.13%
    Berry 32.09%
    Nutty 32.0%
    Grape 31.77%
    Fatty 30.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.77 (neutral)

    Molecular weight
    199.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 114.75 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 324742-96-3
    • 2-(4-Methyl-5-thiazolyl)ethyl propionate
    • Sulfuryl propionate
    • 2-(4-methyl-1,3-thiazol-5-yl)ethyl propanoate
    • FEMA No. 4276
    • 9C20571O7V
    • 2-(4-Methyl-5-thiazolyl)ethyl propionate [FHFI]
    • 5-Thiazoleethanol, 4-methyl-, propanoate (ester)
    • DTXSID10186208
    • 2-(4-Methylthiazol-5-yl)ethyl propionate
    • 5-Thiazoleethanol, 4-methyl-, 5-propanoate
    • UNII-9C20571O7V
    • SCHEMBL12023040
    • DTXCID80108699
    • CHEBI:169108
    • AKOS006242789
    • 2-(4-Methylthiazol-5-yl)ethylpropionate
    • DB-250645
    • Q27272341

  • Applications

    Chemical name: 2-(4-Methyl-5-thiazolyl)ethyl propionate; CAS number: 324742-96-3. This thiazole-containing ester is typically regarded as a chemical intermediate with relevance to fragrance chemistry and may serve as a building block for thiazole-containing compounds. In practice, typical use cases include: as a fragrance ingredient and fragrance intermediate for the perfumery and cosmetics industry; a fragrance additive in personal care products; enhancing aroma in household and cleaning products; a building block for synthesis of thiazole derivatives in industrial chemical research; may be evaluated as an intermediate in pharmaceutical or agrochemical research; and consideration as a specialty additive in polymers or plastics, coatings, and inks for particular formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.92
    methanol 59.33
    isopropanol 31.39
    water 1.24
    ethyl acetate 56.14
    n-propanol 35.34
    acetone 97.17
    n-butanol 35.31
    acetonitrile 62.84
    DMF 480.11
    toluene 48.07
    isobutanol 28.86
    1,4-dioxane 150.86
    methyl acetate 76.58
    THF 140.79
    2-butanone 93.15
    n-pentanol 30.68
    sec-butanol 33.71
    n-hexane 3.26
    ethylene glycol 19.44
    NMP 358.06
    cyclohexane 5.48
    DMSO 337.96
    n-butyl acetate 45.13
    n-octanol 6.8
    chloroform 368.37
    n-propyl acetate 41.28
    acetic acid 125.48
    dichloromethane 321.48
    cyclohexanone 142.24
    propylene glycol 21.64
    isopropyl acetate 44.9
    DMAc 551.08
    2-ethoxyethanol 109.26
    isopentanol 39.36
    n-heptane 1.47
    ethyl formate 50.48
    1,2-dichloroethane 191.12
    n-hexanol 20.73
    2-methoxyethanol 158.34
    isobutyl acetate 29.31
    tetrachloromethane 42.72
    n-pentyl acetate 26.35
    transcutol 277.97
    n-heptanol 10.66
    ethylbenzene 31.38
    MIBK 46.06
    2-propoxyethanol 77.95
    tert-butanol 56.96
    MTBE 63.92
    2-butoxyethanol 42.5
    propionic acid 57.83
    o-xylene 49.11
    formic acid 84.6
    diethyl ether 47.92
    m-xylene 33.34
    p-xylene 46.79
    chlorobenzene 114.62
    dimethyl carbonate 56.89
    n-octane 0.62
    formamide 158.44
    cyclopentanone 151.2
    2-pentanone 58.59
    anisole 121.91
    cyclopentyl methyl ether 60.94
    gamma-butyrolactone 173.98
    1-methoxy-2-propanol 97.91
    pyridine 174.23
    3-pentanone 68.55
    furfural 307.46
    n-dodecane 0.65
    diethylene glycol 81.18
    diisopropyl ether 16.13
    tert-amyl alcohol 55.76
    acetylacetone 107.7
    n-hexadecane 0.8
    acetophenone 123.73
    methyl propionate 62.47
    isopentyl acetate 49.69
    trichloroethylene 480.47
    n-nonanol 8.23
    cyclohexanol 40.51
    benzyl alcohol 85.68
    2-ethylhexanol 16.1
    isooctanol 11.16
    dipropyl ether 20.17
    1,2-dichlorobenzene 137.36
    ethyl lactate 35.74
    propylene carbonate 95.19
    n-methylformamide 131.82
    2-pentanol 23.01
    n-pentane 2.71
    1-propoxy-2-propanol 48.4
    1-methoxy-2-propyl acetate 76.41
    2-(2-methoxypropoxy) propanol 78.53
    mesitylene 22.37
    ε-caprolactone 115.73
    p-cymene 17.29
    epichlorohydrin 252.01
    1,1,1-trichloroethane 162.96
    2-aminoethanol 38.47
    morpholine-4-carbaldehyde 399.4
    sulfolane 292.09
    2,2,4-trimethylpentane 3.98
    2-methyltetrahydrofuran 92.74
    n-hexyl acetate 29.12
    isooctane 2.01
    2-(2-butoxyethoxy)ethanol 81.7
    sec-butyl acetate 36.33
    tert-butyl acetate 60.9
    decalin 5.9
    glycerin 59.87
    diglyme 190.0
    acrylic acid 79.6
    isopropyl myristate 16.11
    n-butyric acid 67.04
    acetyl acetate 63.11
    di(2-ethylhexyl) phthalate 28.62
    ethyl propionate 45.58
    nitromethane 269.58
    1,2-diethoxyethane 68.99
    benzonitrile 92.02
    trioctyl phosphate 12.78
    1-bromopropane 62.88
    gamma-valerolactone 295.25
    n-decanol 6.39
    triethyl phosphate 41.41
    4-methyl-2-pentanol 18.73
    propionitrile 49.87
    vinylene carbonate 121.32
    1,1,2-trichlorotrifluoroethane 246.23
    DMS 67.26
    cumene 22.94
    2-octanol 6.8
    2-hexanone 52.0
    octyl acetate 18.6
    limonene 22.4
    1,2-dimethoxyethane 206.02
    ethyl orthosilicate 37.36
    tributyl phosphate 20.91
    diacetone alcohol 74.28
    N,N-dimethylaniline 87.86
    acrylonitrile 91.07
    aniline 90.34
    1,3-propanediol 57.51
    bromobenzene 114.09
    dibromomethane 168.48
    1,1,2,2-tetrachloroethane 344.53
    2-methyl-cyclohexyl acetate 48.71
    tetrabutyl urea 32.26
    diisobutyl methanol 12.78
    2-phenylethanol 52.51
    styrene 48.96
    dioctyl adipate 34.67
    dimethyl sulfate 153.88
    ethyl butyrate 41.58
    methyl lactate 54.54
    butyl lactate 30.34
    diethyl carbonate 40.29
    propanediol butyl ether 36.16
    triethyl orthoformate 40.9
    p-tert-butyltoluene 16.69
    methyl 4-tert-butylbenzoate 70.23
    morpholine 158.23
    tert-butylamine 34.69
    n-dodecanol 5.19
    dimethoxymethane 143.43
    ethylene carbonate 81.39
    cyrene 116.64
    2-ethoxyethyl acetate 59.84
    2-ethylhexyl acetate 42.45
    1,2,4-trichlorobenzene 191.73
    4-methylpyridine 171.73
    dibutyl ether 13.88
    2,6-dimethyl-4-heptanol 12.78
    DEF 130.21
    dimethyl isosorbide 137.3
    tetrachloroethylene 206.65
    eugenol 77.65
    triacetin 62.25
    span 80 48.3
    1,4-butanediol 29.88
    1,1-dichloroethane 143.74
    2-methyl-1-pentanol 38.71
    methyl formate 91.7
    2-methyl-1-butanol 36.52
    n-decane 0.95
    butyronitrile 42.15
    3,7-dimethyl-1-octanol 12.43
    1-chlorooctane 5.94
    1-chlorotetradecane 3.33
    n-nonane 0.75
    undecane 0.76
    tert-butylcyclohexane 4.84
    cyclooctane 1.76
    cyclopentanol 40.47
    tetrahydropyran 82.06
    tert-amyl methyl ether 58.63
    2,5,8-trioxanonane 152.93
    1-hexene 14.23
    2-isopropoxyethanol 65.98
    2,2,2-trifluoroethanol 79.15
    methyl butyrate 58.8

    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