4-Ethyl-5-methylthiazole

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  • Identifiers

    CAS number
    52414-91-2

    Molecular formula
    C6H9NS

    SMILES
    CCC1=C(SC=N1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 83.98%
    Nutty 75.94%
    Roasted 67.75%
    Vegetable 61.77%
    Meaty 60.38%
    Earthy 51.69%
    Cocoa 46.88%
    Musty 42.16%
    Burnt 40.99%
    Coffee 40.3%

     

    Flavor
    Green 85.1%
    Nutty 77.74%
    Vegetable 54.31%
    Earthy 51.84%
    Roasted 45.09%
    Raw 42.27%
    Hazelnut 36.53%
    Potato 35.1%
    Tomato 33.94%
    Pepper 33.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.25 (neutral)

    Molecular weight
    127.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    194°C

    Melting point expt.

    • 127 - 129 °C

    Flash point

    • 49.63 ˚C est.

  • Synonyms

    • 4-ETHYL-5-METHYLTHIAZOLE
    • 52414-91-2
    • 4-Ethyl-5-methyl-1,3-thiazole
    • Thiazole, 4-ethyl-5-methyl-
    • UNII-Y1VY10Q33P
    • Y1VY10Q33P
    • EINECS 257-904-5
    • 5-METHYL-4-ETHYLTHIAZOLE
    • DTXSID90866258
    • 4-Ethyl-5-methylthiazol
    • 4-ethyl-5-methyl thiazole
    • SCHEMBL5536598
    • DTXCID00814563
    • CHEBI:178617
    • 4-Ethyl-5-methyl-1,3-thiazole #
    • AKOS006271815
    • DA-39425
    • NS00055509
    • Q27294154
    • 257-904-5

  • Applications

    4-Ethyl-5-methylthiazole is used primarily as an aroma and flavor compound. In fragrance and personal care, it serves as a fragrance ingredient and can contribute distinctive roasted or nutty notes, with potential use as a fixative in complex formulations. In the flavor and beverage sector, it may be employed as a flavoring agent to enhance roasted profiles, within regulatory limits. In household products, it appears as a specialty fragrance component in air fresheners and cleaners. In industrial manufacturing, it is often used as an intermediate for the synthesis of other heterocyclic compounds or specialty chemicals. CAS 52414-91-2.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 301.04
    methanol 505.63
    isopropanol 186.3
    water 4.97
    ethyl acetate 240.97
    n-propanol 244.33
    acetone 274.39
    n-butanol 281.36
    acetonitrile 227.67
    DMF 356.23
    toluene 254.8
    isobutanol 191.21
    1,4-dioxane 462.44
    methyl acetate 222.18
    THF 590.58
    2-butanone 274.52
    n-pentanol 233.09
    sec-butanol 190.63
    n-hexane 59.77
    ethylene glycol 74.53
    NMP 469.07
    cyclohexane 81.65
    DMSO 334.62
    n-butyl acetate 305.58
    n-octanol 124.97
    chloroform 1046.79
    n-propyl acetate 200.76
    acetic acid 274.26
    dichloromethane 942.62
    cyclohexanone 479.19
    propylene glycol 68.36
    isopropyl acetate 166.05
    DMAc 282.75
    2-ethoxyethanol 308.7
    isopentanol 248.59
    n-heptane 65.71
    ethyl formate 220.25
    1,2-dichloroethane 486.5
    n-hexanol 252.44
    2-methoxyethanol 398.61
    isobutyl acetate 155.67
    tetrachloromethane 317.42
    n-pentyl acetate 208.13
    transcutol 718.01
    n-heptanol 151.19
    ethylbenzene 134.23
    MIBK 182.43
    2-propoxyethanol 384.44
    tert-butanol 219.92
    MTBE 228.24
    2-butoxyethanol 258.2
    propionic acid 171.47
    o-xylene 161.63
    formic acid 160.44
    diethyl ether 289.06
    m-xylene 172.58
    p-xylene 171.8
    chlorobenzene 411.42
    dimethyl carbonate 105.78
    n-octane 29.86
    formamide 185.16
    cyclopentanone 479.27
    2-pentanone 261.54
    anisole 267.3
    cyclopentyl methyl ether 320.47
    gamma-butyrolactone 453.44
    1-methoxy-2-propanol 240.29
    pyridine 463.63
    3-pentanone 211.11
    furfural 557.13
    n-dodecane 22.58
    diethylene glycol 260.85
    diisopropyl ether 116.93
    tert-amyl alcohol 206.02
    acetylacetone 252.36
    n-hexadecane 25.68
    acetophenone 241.43
    methyl propionate 181.41
    isopentyl acetate 279.03
    trichloroethylene 897.95
    n-nonanol 114.03
    cyclohexanol 227.97
    benzyl alcohol 216.22
    2-ethylhexanol 177.8
    isooctanol 130.2
    dipropyl ether 209.57
    1,2-dichlorobenzene 386.99
    ethyl lactate 95.75
    propylene carbonate 269.07
    n-methylformamide 226.75
    2-pentanol 176.78
    n-pentane 63.47
    1-propoxy-2-propanol 252.32
    1-methoxy-2-propyl acetate 257.1
    2-(2-methoxypropoxy) propanol 208.43
    mesitylene 123.55
    ε-caprolactone 368.77
    p-cymene 116.05
    epichlorohydrin 551.86
    1,1,1-trichloroethane 540.94
    2-aminoethanol 142.18
    morpholine-4-carbaldehyde 483.74
    sulfolane 485.48
    2,2,4-trimethylpentane 43.74
    2-methyltetrahydrofuran 463.88
    n-hexyl acetate 231.69
    isooctane 35.54
    2-(2-butoxyethoxy)ethanol 293.8
    sec-butyl acetate 149.2
    tert-butyl acetate 203.43
    decalin 55.27
    glycerin 111.85
    diglyme 494.38
    acrylic acid 169.83
    isopropyl myristate 114.05
    n-butyric acid 277.4
    acetyl acetate 165.57
    di(2-ethylhexyl) phthalate 122.41
    ethyl propionate 161.65
    nitromethane 364.44
    1,2-diethoxyethane 348.19
    benzonitrile 347.03
    trioctyl phosphate 86.36
    1-bromopropane 343.69
    gamma-valerolactone 581.47
    n-decanol 89.0
    triethyl phosphate 118.84
    4-methyl-2-pentanol 119.96
    propionitrile 235.85
    vinylene carbonate 301.45
    1,1,2-trichlorotrifluoroethane 364.89
    DMS 171.93
    cumene 107.05
    2-octanol 106.29
    2-hexanone 224.14
    octyl acetate 133.3
    limonene 158.79
    1,2-dimethoxyethane 435.11
    ethyl orthosilicate 125.17
    tributyl phosphate 110.92
    diacetone alcohol 194.54
    N,N-dimethylaniline 195.97
    acrylonitrile 261.7
    aniline 257.26
    1,3-propanediol 217.29
    bromobenzene 439.56
    dibromomethane 666.89
    1,1,2,2-tetrachloroethane 621.61
    2-methyl-cyclohexyl acetate 199.03
    tetrabutyl urea 134.09
    diisobutyl methanol 110.57
    2-phenylethanol 246.06
    styrene 182.12
    dioctyl adipate 142.54
    dimethyl sulfate 165.85
    ethyl butyrate 209.44
    methyl lactate 102.06
    butyl lactate 137.12
    diethyl carbonate 145.63
    propanediol butyl ether 166.58
    triethyl orthoformate 168.89
    p-tert-butyltoluene 113.86
    methyl 4-tert-butylbenzoate 207.73
    morpholine 442.55
    tert-butylamine 169.59
    n-dodecanol 73.65
    dimethoxymethane 295.13
    ethylene carbonate 242.65
    cyrene 234.83
    2-ethoxyethyl acetate 271.93
    2-ethylhexyl acetate 240.6
    1,2,4-trichlorobenzene 403.15
    4-methylpyridine 471.28
    dibutyl ether 181.14
    2,6-dimethyl-4-heptanol 110.57
    DEF 267.32
    dimethyl isosorbide 378.7
    tetrachloroethylene 509.16
    eugenol 231.12
    triacetin 199.33
    span 80 192.55
    1,4-butanediol 119.18
    1,1-dichloroethane 489.66
    2-methyl-1-pentanol 225.34
    methyl formate 184.22
    2-methyl-1-butanol 227.77
    n-decane 35.33
    butyronitrile 292.78
    3,7-dimethyl-1-octanol 133.78
    1-chlorooctane 114.13
    1-chlorotetradecane 54.09
    n-nonane 34.17
    undecane 27.06
    tert-butylcyclohexane 55.6
    cyclooctane 40.54
    cyclopentanol 221.22
    tetrahydropyran 398.33
    tert-amyl methyl ether 196.24
    2,5,8-trioxanonane 368.01
    1-hexene 156.25
    2-isopropoxyethanol 221.94
    2,2,2-trifluoroethanol 133.11
    methyl butyrate 207.28

    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