5-Ethyl-4-methylthiazole

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  • Identifiers

    CAS number
    31883-01-9

    Molecular formula
    C6H9NS

    SMILES
    CCC1=C(N=CS1)C

  • Odor profile

    Fragrance
    Green 85.9%
    Nutty 78.88%
    Vegetable 68.05%
    Roasted 63.88%
    Meaty 60.33%
    Earthy 51.54%
    Cocoa 47.38%
    Musty 43.44%
    Coffee 38.31%
    Hazelnut 38.18%

     

    Flavor
    Green 85.11%
    Nutty 78.36%
    Vegetable 52.91%
    Earthy 48.93%
    Roasted 44.91%
    Raw 40.83%
    Hazelnut 33.97%
    Tomato 33.77%
    Potato 33.17%
    Musty 31.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.59 (neutral)

    Molecular weight
    127.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 51.85 ˚C est.

  • Synonyms

    • 5-Ethyl-4-methylthiazole
    • 31883-01-9
    • 5-Ethyl-4-methyl-1,3-thiazole
    • 4-Methyl-5-ethylthiazole
    • EINECS 250-852-4
    • Thiazole, 4-methyl-5-ethyl
    • Thiazole, 5-ethyl-4-methyl-
    • UNII-4M216HR018
    • 4M216HR018
    • 5-Ethyl-4-methyl-thiazole
    • CHEMBL3275138
    • DTXSID00953789
    • MFCD09834442
    • SCHEMBL290725
    • CHEBI:178614
    • DTXCID901018061
    • BDBM50016814
    • AKOS006326645
    • AS-37712
    • DB-068543
    • CS-0313216
    • NS00050329
    • Q27260060
    • 250-852-4

  • Applications

    5-Ethyl-4-methylthiazole (CAS 31883-01-9) is a thiazole compound primarily used as an odorant in perfumery and personal care products, where it can act as a fragrance ingredient; it is also evaluated for flavor formulation applications in the food industry as an aroma contributor; it may appear as a fragrance component in household products and cleaners; on the industrial side, it can serve as an intermediate in chemical synthesis for other products including pharmaceuticals and agrochemicals; and it may be used in polymer or plastics formulations where it contributes to the odor characteristics of the material.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 174.04
    methanol 248.83
    isopropanol 111.47
    water 2.91
    ethyl acetate 163.69
    n-propanol 152.68
    acetone 201.8
    n-butanol 151.32
    acetonitrile 163.0
    DMF 332.52
    toluene 202.14
    isobutanol 114.41
    1,4-dioxane 447.33
    methyl acetate 164.67
    THF 491.7
    2-butanone 194.32
    n-pentanol 123.27
    sec-butanol 113.53
    n-hexane 30.12
    ethylene glycol 52.57
    NMP 436.51
    cyclohexane 63.17
    DMSO 317.21
    n-butyl acetate 170.03
    n-octanol 64.83
    chloroform 705.78
    n-propyl acetate 118.08
    acetic acid 180.27
    dichloromethane 635.42
    cyclohexanone 374.78
    propylene glycol 50.21
    isopropyl acetate 110.44
    DMAc 265.4
    2-ethoxyethanol 188.32
    isopentanol 125.93
    n-heptane 35.59
    ethyl formate 130.21
    1,2-dichloroethane 355.7
    n-hexanol 143.62
    2-methoxyethanol 271.5
    isobutyl acetate 90.22
    tetrachloromethane 190.27
    n-pentyl acetate 121.56
    transcutol 490.15
    n-heptanol 79.9
    ethylbenzene 81.64
    MIBK 115.83
    2-propoxyethanol 238.75
    tert-butanol 137.88
    MTBE 137.04
    2-butoxyethanol 144.96
    propionic acid 130.36
    o-xylene 115.94
    formic acid 99.12
    diethyl ether 197.93
    m-xylene 123.19
    p-xylene 111.91
    chlorobenzene 309.57
    dimethyl carbonate 81.85
    n-octane 15.42
    formamide 145.38
    cyclopentanone 405.1
    2-pentanone 169.37
    anisole 189.66
    cyclopentyl methyl ether 237.16
    gamma-butyrolactone 391.48
    1-methoxy-2-propanol 181.47
    pyridine 400.95
    3-pentanone 148.06
    furfural 440.24
    n-dodecane 12.07
    diethylene glycol 181.57
    diisopropyl ether 67.16
    tert-amyl alcohol 125.45
    acetylacetone 196.88
    n-hexadecane 13.98
    acetophenone 166.57
    methyl propionate 136.02
    isopentyl acetate 161.02
    trichloroethylene 620.11
    n-nonanol 64.3
    cyclohexanol 157.48
    benzyl alcohol 142.07
    2-ethylhexanol 98.93
    isooctanol 67.83
    dipropyl ether 127.28
    1,2-dichlorobenzene 272.77
    ethyl lactate 62.7
    propylene carbonate 206.35
    n-methylformamide 177.02
    2-pentanol 99.49
    n-pentane 34.6
    1-propoxy-2-propanol 159.6
    1-methoxy-2-propyl acetate 175.89
    2-(2-methoxypropoxy) propanol 154.28
    mesitylene 84.49
    ε-caprolactone 280.32
    p-cymene 70.52
    epichlorohydrin 424.24
    1,1,1-trichloroethane 387.15
    2-aminoethanol 95.39
    morpholine-4-carbaldehyde 448.24
    sulfolane 474.26
    2,2,4-trimethylpentane 20.97
    2-methyltetrahydrofuran 366.21
    n-hexyl acetate 140.01
    isooctane 17.09
    2-(2-butoxyethoxy)ethanol 202.38
    sec-butyl acetate 86.47
    tert-butyl acetate 138.95
    decalin 34.04
    glycerin 85.13
    diglyme 354.3
    acrylic acid 130.09
    isopropyl myristate 76.8
    n-butyric acid 168.75
    acetyl acetate 117.84
    di(2-ethylhexyl) phthalate 83.1
    ethyl propionate 98.64
    nitromethane 301.12
    1,2-diethoxyethane 223.18
    benzonitrile 224.53
    trioctyl phosphate 57.58
    1-bromopropane 223.29
    gamma-valerolactone 487.38
    n-decanol 51.9
    triethyl phosphate 84.0
    4-methyl-2-pentanol 67.04
    propionitrile 167.07
    vinylene carbonate 230.92
    1,1,2-trichlorotrifluoroethane 285.51
    DMS 135.11
    cumene 64.18
    2-octanol 55.05
    2-hexanone 133.96
    octyl acetate 90.46
    limonene 101.31
    1,2-dimethoxyethane 294.91
    ethyl orthosilicate 83.6
    tributyl phosphate 73.23
    diacetone alcohol 142.07
    N,N-dimethylaniline 131.03
    acrylonitrile 189.74
    aniline 204.82
    1,3-propanediol 135.28
    bromobenzene 343.46
    dibromomethane 422.43
    1,1,2,2-tetrachloroethane 458.95
    2-methyl-cyclohexyl acetate 132.63
    tetrabutyl urea 93.17
    diisobutyl methanol 61.76
    2-phenylethanol 155.32
    styrene 121.16
    dioctyl adipate 103.39
    dimethyl sulfate 148.77
    ethyl butyrate 128.93
    methyl lactate 79.55
    butyl lactate 85.88
    diethyl carbonate 95.7
    propanediol butyl ether 98.93
    triethyl orthoformate 108.99
    p-tert-butyltoluene 69.83
    methyl 4-tert-butylbenzoate 147.03
    morpholine 414.31
    tert-butylamine 101.79
    n-dodecanol 43.47
    dimethoxymethane 232.18
    ethylene carbonate 183.17
    cyrene 173.11
    2-ethoxyethyl acetate 180.8
    2-ethylhexyl acetate 143.66
    1,2,4-trichlorobenzene 316.16
    4-methylpyridine 366.59
    dibutyl ether 100.38
    2,6-dimethyl-4-heptanol 61.76
    DEF 187.34
    dimethyl isosorbide 293.3
    tetrachloroethylene 349.68
    eugenol 156.42
    triacetin 142.18
    span 80 138.2
    1,4-butanediol 68.71
    1,1-dichloroethane 336.15
    2-methyl-1-pentanol 108.65
    methyl formate 145.48
    2-methyl-1-butanol 123.7
    n-decane 17.94
    butyronitrile 168.15
    3,7-dimethyl-1-octanol 74.04
    1-chlorooctane 62.46
    1-chlorotetradecane 33.41
    n-nonane 17.24
    undecane 14.14
    tert-butylcyclohexane 30.69
    cyclooctane 25.37
    cyclopentanol 168.49
    tetrahydropyran 337.95
    tert-amyl methyl ether 122.56
    2,5,8-trioxanonane 289.23
    1-hexene 81.48
    2-isopropoxyethanol 132.41
    2,2,2-trifluoroethanol 98.1
    methyl butyrate 124.41

    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