4-Ethyl-5-methyl-2-(1-methylethyl)thiazole

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  • Identifiers

    CAS number
    87116-68-5

    Molecular formula
    C9H15NS

    SMILES
    CCC1=C(SC(=N1)C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 77.03%
    Nutty 66.98%
    Roasted 60.19%
    Earthy 60.15%
    Vegetable 56.19%
    Meaty 48.15%
    Burnt 41.96%
    Fruity 40.53%
    Potato 38.82%
    Coffee 37.91%

     

    Flavor
    Green 80.27%
    Earthy 57.66%
    Vegetable 44.8%
    Pepper 40.72%
    Earth 37.83%
    Nutty 35.7%
    Raw 34.55%
    Tropical 32.54%
    Roasted 31.94%
    Pea 31.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.21 (neutral)

    Molecular weight
    169.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    197°C

    Melting point expt.

    • 94 °C

    Flash point

    • 68.03 ˚C est.

  • Synonyms

    • 4-Ethyl-5-methyl-2-(1-methylethyl)thiazole
    • 2-Isopropyl-4-ethyl-5-methylthiazole
    • 4-ethyl-5-methyl-2-(propan-2-yl)-1,3-thiazole
    • SCHEMBL17480641
    • CMIKRIOXEPLAGU-UHFFFAOYSA-N
    • DTXSID401264762
    • 87116-68-5
    • NS00113887
    • 4-Ethyl-2-isopropyl-5-methyl-1,3-thiazole #
    • 4-Ethyl-5-methyl-2-(1-methylethyl)thiazole, 9CI
    • 87116-68-5

  • Applications

    4-Ethyl-5-methyl-2-(1-methylethyl)thiazole (CAS 87116-68-5) is primarily used as a fragrance and aroma ingredient, functioning as an odorant in perfumery and contributing to flavor/aroma formulations; it is also evaluated for cosmetic and personal care fragrance applications. It may be included in household products such as air fresheners and surface cleaners to impart or modify odor, and in coatings or inks as a specialty fragrance additive. In industrial manufacturing, it can serve as an intermediate in organic synthesis, enabling downstream derivatization of thiazole-based compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.81
    methanol 228.54
    isopropanol 310.42
    water 0.44
    ethyl acetate 536.28
    n-propanol 324.0
    acetone 857.46
    n-butanol 367.38
    acetonitrile 353.98
    DMF 1024.26
    toluene 809.42
    isobutanol 338.83
    1,4-dioxane 1053.78
    methyl acetate 578.28
    THF 1704.73
    2-butanone 857.82
    n-pentanol 335.13
    sec-butanol 385.63
    n-hexane 169.25
    ethylene glycol 56.13
    NMP 1288.51
    cyclohexane 264.01
    DMSO 629.43
    n-butyl acetate 924.46
    n-octanol 419.33
    chloroform 2126.63
    n-propyl acetate 531.09
    acetic acid 237.53
    dichloromethane 1836.89
    cyclohexanone 1426.77
    propylene glycol 103.56
    isopropyl acetate 437.79
    DMAc 954.75
    2-ethoxyethanol 357.75
    isopentanol 380.48
    n-heptane 199.97
    ethyl formate 385.9
    1,2-dichloroethane 1028.81
    n-hexanol 546.75
    2-methoxyethanol 420.46
    isobutyl acetate 462.6
    tetrachloromethane 582.63
    n-pentyl acetate 689.05
    transcutol 724.21
    n-heptanol 361.63
    ethylbenzene 541.4
    MIBK 496.66
    2-propoxyethanol 608.51
    tert-butanol 438.26
    MTBE 650.72
    2-butoxyethanol 437.51
    propionic acid 253.7
    o-xylene 563.43
    formic acid 41.54
    diethyl ether 551.22
    m-xylene 622.56
    p-xylene 776.98
    chlorobenzene 1008.8
    dimethyl carbonate 270.41
    n-octane 124.75
    formamide 76.78
    cyclopentanone 1562.52
    2-pentanone 686.76
    anisole 713.3
    cyclopentyl methyl ether 810.13
    gamma-butyrolactone 1246.92
    1-methoxy-2-propanol 395.23
    pyridine 1102.44
    3-pentanone 593.61
    furfural 1136.02
    n-dodecane 107.51
    diethylene glycol 291.53
    diisopropyl ether 282.14
    tert-amyl alcohol 461.25
    acetylacetone 747.15
    n-hexadecane 124.21
    acetophenone 696.11
    methyl propionate 456.43
    isopentyl acetate 844.1
    trichloroethylene 2071.92
    n-nonanol 370.64
    cyclohexanol 521.09
    benzyl alcohol 524.52
    2-ethylhexanol 476.38
    isooctanol 332.71
    dipropyl ether 524.18
    1,2-dichlorobenzene 945.56
    ethyl lactate 232.29
    propylene carbonate 813.1
    n-methylformamide 302.94
    2-pentanol 316.43
    n-pentane 145.73
    1-propoxy-2-propanol 513.8
    1-methoxy-2-propyl acetate 645.26
    2-(2-methoxypropoxy) propanol 450.12
    mesitylene 462.4
    ε-caprolactone 1040.96
    p-cymene 461.45
    epichlorohydrin 1288.97
    1,1,1-trichloroethane 1349.81
    2-aminoethanol 113.3
    morpholine-4-carbaldehyde 1110.51
    sulfolane 1386.01
    2,2,4-trimethylpentane 120.55
    2-methyltetrahydrofuran 1222.34
    n-hexyl acetate 845.6
    isooctane 98.73
    2-(2-butoxyethoxy)ethanol 484.15
    sec-butyl acetate 412.93
    tert-butyl acetate 539.28
    decalin 186.06
    glycerin 132.09
    diglyme 861.65
    acrylic acid 221.43
    isopropyl myristate 425.38
    n-butyric acid 425.05
    acetyl acetate 390.0
    di(2-ethylhexyl) phthalate 372.74
    ethyl propionate 436.83
    nitromethane 458.01
    1,2-diethoxyethane 615.36
    benzonitrile 839.58
    trioctyl phosphate 292.66
    1-bromopropane 756.24
    gamma-valerolactone 1487.29
    n-decanol 295.22
    triethyl phosphate 317.81
    4-methyl-2-pentanol 239.27
    propionitrile 409.92
    vinylene carbonate 779.58
    1,1,2-trichlorotrifluoroethane 666.64
    DMS 584.14
    cumene 403.19
    2-octanol 362.71
    2-hexanone 671.29
    octyl acetate 504.19
    limonene 608.3
    1,2-dimethoxyethane 818.52
    ethyl orthosilicate 303.92
    tributyl phosphate 326.33
    diacetone alcohol 451.12
    N,N-dimethylaniline 591.55
    acrylonitrile 462.96
    aniline 550.62
    1,3-propanediol 205.21
    bromobenzene 1257.34
    dibromomethane 1279.93
    1,1,2,2-tetrachloroethane 1552.04
    2-methyl-cyclohexyl acetate 609.98
    tetrabutyl urea 446.1
    diisobutyl methanol 287.96
    2-phenylethanol 618.35
    styrene 641.74
    dioctyl adipate 503.16
    dimethyl sulfate 404.89
    ethyl butyrate 610.35
    methyl lactate 218.94
    butyl lactate 403.94
    diethyl carbonate 400.97
    propanediol butyl ether 373.63
    triethyl orthoformate 418.83
    p-tert-butyltoluene 450.97
    methyl 4-tert-butylbenzoate 632.41
    morpholine 915.75
    tert-butylamine 343.17
    n-dodecanol 247.18
    dimethoxymethane 638.2
    ethylene carbonate 625.33
    cyrene 529.51
    2-ethoxyethyl acetate 679.82
    2-ethylhexyl acetate 768.82
    1,2,4-trichlorobenzene 1052.16
    4-methylpyridine 1314.38
    dibutyl ether 536.45
    2,6-dimethyl-4-heptanol 287.96
    DEF 698.48
    dimethyl isosorbide 890.69
    tetrachloroethylene 1048.81
    eugenol 557.85
    triacetin 596.29
    span 80 474.89
    1,4-butanediol 137.4
    1,1-dichloroethane 1138.0
    2-methyl-1-pentanol 379.2
    methyl formate 309.21
    2-methyl-1-butanol 389.14
    n-decane 158.88
    butyronitrile 529.74
    3,7-dimethyl-1-octanol 405.2
    1-chlorooctane 454.86
    1-chlorotetradecane 220.49
    n-nonane 165.22
    undecane 126.53
    tert-butylcyclohexane 181.58
    cyclooctane 140.18
    cyclopentanol 550.0
    tetrahydropyran 1051.37
    tert-amyl methyl ether 548.46
    2,5,8-trioxanonane 639.6
    1-hexene 417.25
    2-isopropoxyethanol 343.2
    2,2,2-trifluoroethanol 114.68
    methyl butyrate 613.52

    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