2-Acetyl-4-ethylthiazole

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  • Identifiers

    CAS number
    233665-91-3

    Molecular formula
    C7H9NOS

    SMILES
    CCC1=CSC(=N1)C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 71.66%
    Roasted 59.3%
    Green 50.16%
    Meaty 48.93%
    Popcorn 39.44%
    Hazelnut 36.09%
    Vegetable 34.44%
    Earthy 31.91%
    Cocoa 30.85%
    Musty 30.8%

     

    Flavor
    Nutty 72.82%
    Roast 50.63%
    Roasted 50.59%
    Popcorn 48.97%
    Hazelnut 42.8%
    Potato 42.72%
    Earthy 42.7%
    Corn 37.88%
    Vegetable 37.79%
    Chip 36.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.54 (neutral)

    Molecular weight
    155.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    215°C

    Flash point

    • 99.27 ˚C est.

  • Synonyms

    • 233665-91-3
    • 2-Acetyl-4-ethylthiazole
    • RefChem:462831
    • 1-(4-Ethyl-1,3-thiazol-2-yl)ethan-1-one
    • 144093-87-8
    • PWQ9TX5PQU
    • 2-acetyl-4-ethyl thiazole
    • SCHEMBL16603280
    • SCHEMBL28177526
    • DTXSID70665867
    • 1-(4-Ethyl-2-thiazolyl)ethanone
    • AKOS012685239
    • Ethanone, 1-(4-ethyl-2-thiazolyl)-
    • Ethanone,1-(4-ethyl-2-thiazolyl)-(9ci)
    • NS00120329
    • 233665-91-3

  • Applications

    2-Acetyl-4-ethylthiazole (CAS 233665-91-3) is commonly used as an odor-active ingredient in fragrance and flavor applications, contributing to roasted or savory aroma notes and serving as a fragrance component in cosmetics and personal care products. It may be employed as a flavor/aroma additive in food and beverage applications, subject to relevant regulations. It is also used in household products such as cleaners and air fresheners as an odorant or aroma booster. In industrial manufacturing, it can function as an intermediate or building block for the synthesis of other thiazole-containing compounds used in specialty chemicals. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 106.06
    methanol 160.46
    isopropanol 88.23
    water 1.96
    ethyl acetate 152.53
    n-propanol 90.22
    acetone 345.66
    n-butanol 92.24
    acetonitrile 192.26
    DMF 927.63
    toluene 152.66
    isobutanol 77.36
    1,4-dioxane 290.72
    methyl acetate 217.63
    THF 378.05
    2-butanone 245.89
    n-pentanol 79.92
    sec-butanol 86.25
    n-hexane 8.11
    ethylene glycol 65.04
    NMP 800.3
    cyclohexane 23.58
    DMSO 671.8
    n-butyl acetate 136.91
    n-octanol 72.33
    chloroform 497.05
    n-propyl acetate 115.16
    acetic acid 149.58
    dichloromethane 597.08
    cyclohexanone 421.14
    propylene glycol 57.62
    isopropyl acetate 97.03
    DMAc 680.04
    2-ethoxyethanol 145.32
    isopentanol 83.63
    n-heptane 12.93
    ethyl formate 165.21
    1,2-dichloroethane 341.74
    n-hexanol 89.85
    2-methoxyethanol 240.77
    isobutyl acetate 81.63
    tetrachloromethane 88.52
    n-pentyl acetate 111.82
    transcutol 277.21
    n-heptanol 58.69
    ethylbenzene 88.76
    MIBK 112.3
    2-propoxyethanol 170.33
    tert-butanol 109.42
    MTBE 106.23
    2-butoxyethanol 107.58
    propionic acid 119.18
    o-xylene 128.33
    formic acid 60.59
    diethyl ether 89.36
    m-xylene 118.29
    p-xylene 131.45
    chlorobenzene 246.48
    dimethyl carbonate 127.93
    n-octane 8.86
    formamide 113.81
    cyclopentanone 491.78
    2-pentanone 167.58
    anisole 184.76
    cyclopentyl methyl ether 159.91
    gamma-butyrolactone 489.7
    1-methoxy-2-propanol 162.8
    pyridine 330.86
    3-pentanone 161.9
    furfural 549.63
    n-dodecane 10.97
    diethylene glycol 164.59
    diisopropyl ether 35.14
    tert-amyl alcohol 97.4
    acetylacetone 258.1
    n-hexadecane 12.81
    acetophenone 211.76
    methyl propionate 170.05
    isopentyl acetate 128.61
    trichloroethylene 673.91
    n-nonanol 65.08
    cyclohexanol 111.52
    benzyl alcohol 161.26
    2-ethylhexanol 72.47
    isooctanol 53.19
    dipropyl ether 70.32
    1,2-dichlorobenzene 254.46
    ethyl lactate 85.71
    propylene carbonate 271.53
    n-methylformamide 247.05
    2-pentanol 56.99
    n-pentane 10.07
    1-propoxy-2-propanol 116.77
    1-methoxy-2-propyl acetate 155.92
    2-(2-methoxypropoxy) propanol 132.33
    mesitylene 77.76
    ε-caprolactone 294.96
    p-cymene 72.47
    epichlorohydrin 448.7
    1,1,1-trichloroethane 319.94
    2-aminoethanol 78.58
    morpholine-4-carbaldehyde 588.12
    sulfolane 725.28
    2,2,4-trimethylpentane 10.1
    2-methyltetrahydrofuran 228.88
    n-hexyl acetate 151.88
    isooctane 7.76
    2-(2-butoxyethoxy)ethanol 155.79
    sec-butyl acetate 79.88
    tert-butyl acetate 114.99
    decalin 20.68
    glycerin 103.34
    diglyme 291.27
    acrylic acid 143.65
    isopropyl myristate 74.95
    n-butyric acid 132.89
    acetyl acetate 136.61
    di(2-ethylhexyl) phthalate 84.42
    ethyl propionate 110.44
    nitromethane 383.97
    1,2-diethoxyethane 132.89
    benzonitrile 272.88
    trioctyl phosphate 62.85
    1-bromopropane 142.17
    gamma-valerolactone 532.99
    n-decanol 53.12
    triethyl phosphate 77.16
    4-methyl-2-pentanol 42.01
    propionitrile 142.19
    vinylene carbonate 300.78
    1,1,2-trichlorotrifluoroethane 297.46
    DMS 170.15
    cumene 66.81
    2-octanol 51.68
    2-hexanone 132.02
    octyl acetate 93.1
    limonene 102.05
    1,2-dimethoxyethane 289.24
    ethyl orthosilicate 71.3
    tributyl phosphate 73.63
    diacetone alcohol 139.15
    N,N-dimethylaniline 145.29
    acrylonitrile 243.51
    aniline 156.61
    1,3-propanediol 105.08
    bromobenzene 278.04
    dibromomethane 330.52
    1,1,2,2-tetrachloroethane 460.51
    2-methyl-cyclohexyl acetate 120.44
    tetrabutyl urea 113.68
    diisobutyl methanol 49.24
    2-phenylethanol 143.94
    styrene 116.92
    dioctyl adipate 106.01
    dimethyl sulfate 267.91
    ethyl butyrate 119.29
    methyl lactate 116.2
    butyl lactate 95.32
    diethyl carbonate 96.03
    propanediol butyl ether 109.95
    triethyl orthoformate 85.97
    p-tert-butyltoluene 67.35
    methyl 4-tert-butylbenzoate 161.61
    morpholine 252.4
    tert-butylamine 69.2
    n-dodecanol 44.47
    dimethoxymethane 277.97
    ethylene carbonate 222.99
    cyrene 185.71
    2-ethoxyethyl acetate 153.36
    2-ethylhexyl acetate 108.47
    1,2,4-trichlorobenzene 308.09
    4-methylpyridine 366.83
    dibutyl ether 78.96
    2,6-dimethyl-4-heptanol 49.24
    DEF 265.78
    dimethyl isosorbide 256.33
    tetrachloroethylene 293.66
    eugenol 166.86
    triacetin 160.88
    span 80 121.94
    1,4-butanediol 63.98
    1,1-dichloroethane 282.99
    2-methyl-1-pentanol 79.13
    methyl formate 244.84
    2-methyl-1-butanol 81.38
    n-decane 14.76
    butyronitrile 146.45
    3,7-dimethyl-1-octanol 75.05
    1-chlorooctane 59.33
    1-chlorotetradecane 32.8
    n-nonane 13.28
    undecane 12.43
    tert-butylcyclohexane 17.53
    cyclooctane 8.98
    cyclopentanol 137.1
    tetrahydropyran 182.16
    tert-amyl methyl ether 91.0
    2,5,8-trioxanonane 228.12
    1-hexene 37.99
    2-isopropoxyethanol 105.88
    2,2,2-trifluoroethanol 83.02
    methyl butyrate 158.37

    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