5-Ethyl-2-methylthiazole

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  • Identifiers

    CAS number
    19961-52-5

    Molecular formula
    C6H9NS

    SMILES
    CCC1=CN=C(S1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.84%
    Nutty 73.89%
    Roasted 64.94%
    Meaty 63.15%
    Vegetable 61.33%
    Sulfurous 56.98%
    Cocoa 47.89%
    Earthy 45.75%
    Burnt 42.55%
    Coffee 41.55%

     

    Flavor
    Nutty 57.11%
    Roasted 55.78%
    Vegetable 37.87%
    Coffee 37.51%
    Green 35.76%
    Earthy 32.17%
    Burnt 32.1%
    Meaty 31.73%
    Roast 30.87%
    Potato 30.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.29 (neutral)

    Molecular weight
    127.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 124 °C

    Boiling point

    • 170.00 °C. @ 760.00 mm Hg

    Flash point

    • 48.08 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 5-Ethyl-2-methylthiazole
    • 5-Ethyl-2-methyl-1,3-thiazole
    • 2-Methyl-5-ethylthiazole
    • Thiazole, 5-ethyl-2-methyl-
    • 19961-52-5
    • FEMA No. 4388
    • UNII-3QA6DD1325
    • 3QA6DD1325
    • 5-Ethyl-2-methylthiazole [FIFH]
    • DTXSID80173746
    • 5-ETHYL-2-METHYLTHIAZOLE [FHFI]
    • 5-Ethyl-2-methylthiazole (FIFH)
    • 5-ethyl-2-methyl thiazole
    • SCHEMBL1398205
    • DTXCID4096237
    • CHEBI:178618
    • AKOS006372965
    • DB-219480
    • NS00122535
    • Q27257902
    • 639-016-3

  • Applications

    5-Ethyl-2-methylthiazole (CAS 19961-52-5) is used primarily as an odorant in fragrance and flavor applications, providing roasted-meat and savory notes for perfumery and food ingredients; it also serves as a fragrance intermediate for cosmetics and personal care products, and can be used in formulations for household products and cleaners; in industrial manufacturing, it functions as a synthetic building block or intermediate for the preparation of other heterocyclic compounds and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 257.63
    methanol 326.39
    isopropanol 218.6
    water 4.61
    ethyl acetate 278.47
    n-propanol 235.23
    acetone 436.77
    n-butanol 234.87
    acetonitrile 283.25
    DMF 617.53
    toluene 293.2
    isobutanol 194.2
    1,4-dioxane 581.56
    methyl acetate 297.26
    THF 661.94
    2-butanone 357.44
    n-pentanol 178.98
    sec-butanol 209.82
    n-hexane 48.97
    ethylene glycol 93.29
    NMP 646.28
    cyclohexane 67.65
    DMSO 509.1
    n-butyl acetate 242.54
    n-octanol 162.01
    chloroform 971.38
    n-propyl acetate 186.72
    acetic acid 251.35
    dichloromethane 751.7
    cyclohexanone 558.82
    propylene glycol 123.89
    isopropyl acetate 213.66
    DMAc 479.49
    2-ethoxyethanol 290.32
    isopentanol 195.72
    n-heptane 52.13
    ethyl formate 191.26
    1,2-dichloroethane 426.18
    n-hexanol 248.39
    2-methoxyethanol 435.4
    isobutyl acetate 158.33
    tetrachloromethane 279.36
    n-pentyl acetate 206.48
    transcutol 566.02
    n-heptanol 148.64
    ethylbenzene 145.0
    MIBK 227.75
    2-propoxyethanol 413.71
    tert-butanol 263.84
    MTBE 261.09
    2-butoxyethanol 242.52
    propionic acid 203.77
    o-xylene 201.42
    formic acid 82.94
    diethyl ether 265.33
    m-xylene 225.13
    p-xylene 196.15
    chlorobenzene 399.14
    dimethyl carbonate 161.9
    n-octane 32.05
    formamide 113.0
    cyclopentanone 621.47
    2-pentanone 314.55
    anisole 304.61
    cyclopentyl methyl ether 389.7
    gamma-butyrolactone 573.33
    1-methoxy-2-propanol 358.77
    pyridine 460.99
    3-pentanone 259.03
    furfural 601.3
    n-dodecane 30.3
    diethylene glycol 314.11
    diisopropyl ether 120.99
    tert-amyl alcohol 233.27
    acetylacetone 401.92
    n-hexadecane 34.13
    acetophenone 279.39
    methyl propionate 248.57
    isopentyl acetate 227.75
    trichloroethylene 843.66
    n-nonanol 144.7
    cyclohexanol 247.22
    benzyl alcohol 231.18
    2-ethylhexanol 165.09
    isooctanol 130.34
    dipropyl ether 184.07
    1,2-dichlorobenzene 367.26
    ethyl lactate 129.0
    propylene carbonate 325.79
    n-methylformamide 248.19
    2-pentanol 177.04
    n-pentane 48.56
    1-propoxy-2-propanol 279.9
    1-methoxy-2-propyl acetate 273.27
    2-(2-methoxypropoxy) propanol 229.57
    mesitylene 157.14
    ε-caprolactone 406.43
    p-cymene 117.51
    epichlorohydrin 583.08
    1,1,1-trichloroethane 594.87
    2-aminoethanol 154.18
    morpholine-4-carbaldehyde 632.26
    sulfolane 737.4
    2,2,4-trimethylpentane 42.05
    2-methyltetrahydrofuran 492.02
    n-hexyl acetate 283.16
    isooctane 35.2
    2-(2-butoxyethoxy)ethanol 293.83
    sec-butyl acetate 152.18
    tert-butyl acetate 255.24
    decalin 59.04
    glycerin 183.81
    diglyme 465.69
    acrylic acid 199.22
    isopropyl myristate 136.59
    n-butyric acid 262.92
    acetyl acetate 226.84
    di(2-ethylhexyl) phthalate 136.53
    ethyl propionate 174.57
    nitromethane 416.37
    1,2-diethoxyethane 256.55
    benzonitrile 325.8
    trioctyl phosphate 99.43
    1-bromopropane 288.06
    gamma-valerolactone 699.75
    n-decanol 113.22
    triethyl phosphate 116.38
    4-methyl-2-pentanol 126.32
    propionitrile 234.36
    vinylene carbonate 332.91
    1,1,2-trichlorotrifluoroethane 415.56
    DMS 230.06
    cumene 117.9
    2-octanol 124.34
    2-hexanone 232.01
    octyl acetate 167.95
    limonene 167.63
    1,2-dimethoxyethane 419.85
    ethyl orthosilicate 113.31
    tributyl phosphate 113.71
    diacetone alcohol 273.33
    N,N-dimethylaniline 221.31
    acrylonitrile 278.79
    aniline 292.04
    1,3-propanediol 219.49
    bromobenzene 430.86
    dibromomethane 520.95
    1,1,2,2-tetrachloroethane 662.22
    2-methyl-cyclohexyl acetate 187.08
    tetrabutyl urea 145.41
    diisobutyl methanol 110.09
    2-phenylethanol 255.97
    styrene 194.84
    dioctyl adipate 162.32
    dimethyl sulfate 285.77
    ethyl butyrate 176.42
    methyl lactate 177.07
    butyl lactate 156.87
    diethyl carbonate 130.47
    propanediol butyl ether 214.01
    triethyl orthoformate 142.75
    p-tert-butyltoluene 122.71
    methyl 4-tert-butylbenzoate 253.3
    morpholine 521.56
    tert-butylamine 178.07
    n-dodecanol 94.0
    dimethoxymethane 402.57
    ethylene carbonate 258.42
    cyrene 268.33
    2-ethoxyethyl acetate 254.23
    2-ethylhexyl acetate 195.77
    1,2,4-trichlorobenzene 453.0
    4-methylpyridine 508.77
    dibutyl ether 170.23
    2,6-dimethyl-4-heptanol 110.09
    DEF 332.4
    dimethyl isosorbide 388.22
    tetrachloroethylene 443.77
    eugenol 258.81
    triacetin 246.79
    span 80 225.48
    1,4-butanediol 118.66
    1,1-dichloroethane 519.3
    2-methyl-1-pentanol 172.11
    methyl formate 216.98
    2-methyl-1-butanol 196.93
    n-decane 43.83
    butyronitrile 248.19
    3,7-dimethyl-1-octanol 154.11
    1-chlorooctane 144.63
    1-chlorotetradecane 71.0
    n-nonane 43.12
    undecane 35.1
    tert-butylcyclohexane 61.27
    cyclooctane 38.17
    cyclopentanol 266.17
    tetrahydropyran 420.99
    tert-amyl methyl ether 225.71
    2,5,8-trioxanonane 351.35
    1-hexene 132.43
    2-isopropoxyethanol 222.6
    2,2,2-trifluoroethanol 138.27
    methyl butyrate 212.57

    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