Thiazole, 5-ethyl-4-methyl-2-(1-methylethyl)-

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  • Identifiers

    CAS number
    53498-31-0

    Molecular formula
    C9H15NS

    SMILES
    CCC1=C(N=C(S1)C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 80.18%
    Nutty 67.83%
    Earthy 59.06%
    Vegetable 58.41%
    Roasted 57.67%
    Meaty 47.69%
    Fruity 45.04%
    Burnt 38.99%
    Sulfurous 37.74%
    Potato 37.33%

     

    Flavor
    Green 81.38%
    Earthy 57.78%
    Vegetable 45.85%
    Pepper 41.05%
    Nutty 37.96%
    Earth 37.09%
    Raw 35.98%
    Tropical 32.86%
    Roasted 32.02%
    Pea 30.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.51 (neutral)

    Molecular weight
    169.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 68.97 ˚C est.

  • Synonyms

    • Thiazole, 5-ethyl-4-methyl-2-(1-methylethyl)-
    • 53498-31-0
    • DTXSID50201702
    • RefChem:897663
    • DTXCID40124193
    • 5-Ethyl-4-methyl-2-(1-methylethyl)thiazole
    • 5-ethyl-4-methyl-2-(propan-2-yl)-1,3-thiazole
    • 5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
    • K6PX9H24Y6
    • SCHEMBL10129942
    • 2-Isopropyl-4-methyl-5-ethylthiazole
    • AKOS006371263
    • 5-Ethyl-2-isopropyl-4-methyl-thiazole
    • DB-327521
    • 5-Ethyl-4-methyl-2-(1-methylethyl)-Thiazole
    • Thiazole,5-ethyl-4-methyl-2-(1-methylethyl)-
    • 5-Ethyl-4-methyl-2-(1-methylethyl)thiazole, 9CI
    • 53498-31-0

  • Applications

    Thiazole, 5-ethyl-4-methyl-2-(1-methylethyl)- (CAS 53498-31-0) is primarily used as a fragrance and flavor ingredient, contributing characteristic odor notes in perfumery, cosmetics, and food flavoring, and may serve as an odorant in household products. The compound also acts as an intermediate in the synthesis of pharmaceutical and agrochemical products, and can be employed in polymer and coating formulations as an odor-active additive or aroma chemical to modulate scent release. In industrial manufacturing, it is evaluated for specialty chemical and material applications where a thiazole-based scaffold supports aroma functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 238.72
    methanol 195.77
    isopropanol 269.88
    water 0.41
    ethyl acetate 456.6
    n-propanol 283.25
    acetone 747.07
    n-butanol 307.36
    acetonitrile 315.45
    DMF 1032.49
    toluene 713.29
    isobutanol 293.67
    1,4-dioxane 1041.47
    methyl acetate 539.39
    THF 1673.79
    2-butanone 731.47
    n-pentanol 273.48
    sec-butanol 328.97
    n-hexane 137.11
    ethylene glycol 48.79
    NMP 1297.32
    cyclohexane 259.79
    DMSO 613.5
    n-butyl acetate 739.71
    n-octanol 342.7
    chloroform 1943.93
    n-propyl acetate 426.17
    acetic acid 210.31
    dichloromethane 1617.93
    cyclohexanone 1388.39
    propylene glycol 92.54
    isopropyl acetate 362.58
    DMAc 918.56
    2-ethoxyethanol 290.61
    isopentanol 318.89
    n-heptane 159.03
    ethyl formate 332.21
    1,2-dichloroethane 918.06
    n-hexanol 466.24
    2-methoxyethanol 371.02
    isobutyl acetate 377.67
    tetrachloromethane 530.25
    n-pentyl acetate 563.34
    transcutol 570.16
    n-heptanol 295.55
    ethylbenzene 450.23
    MIBK 423.41
    2-propoxyethanol 529.04
    tert-butanol 386.27
    MTBE 539.71
    2-butoxyethanol 356.9
    propionic acid 230.66
    o-xylene 499.12
    formic acid 35.56
    diethyl ether 471.45
    m-xylene 520.07
    p-xylene 664.29
    chlorobenzene 950.14
    dimethyl carbonate 246.45
    n-octane 100.64
    formamide 66.76
    cyclopentanone 1532.37
    2-pentanone 582.18
    anisole 614.17
    cyclopentyl methyl ether 799.2
    gamma-butyrolactone 1239.44
    1-methoxy-2-propanol 353.83
    pyridine 1053.38
    3-pentanone 516.36
    furfural 1019.92
    n-dodecane 87.82
    diethylene glycol 258.25
    diisopropyl ether 231.29
    tert-amyl alcohol 381.39
    acetylacetone 649.84
    n-hexadecane 102.16
    acetophenone 587.41
    methyl propionate 413.32
    isopentyl acetate 668.81
    trichloroethylene 1853.33
    n-nonanol 309.03
    cyclohexanol 491.96
    benzyl alcohol 434.22
    2-ethylhexanol 396.5
    isooctanol 270.11
    dipropyl ether 427.34
    1,2-dichlorobenzene 866.09
    ethyl lactate 201.57
    propylene carbonate 753.66
    n-methylformamide 280.99
    2-pentanol 265.58
    n-pentane 119.01
    1-propoxy-2-propanol 436.01
    1-methoxy-2-propyl acetate 547.73
    2-(2-methoxypropoxy) propanol 376.66
    mesitylene 380.16
    ε-caprolactone 980.05
    p-cymene 370.38
    epichlorohydrin 1188.95
    1,1,1-trichloroethane 1264.01
    2-aminoethanol 95.35
    morpholine-4-carbaldehyde 1079.38
    sulfolane 1391.86
    2,2,4-trimethylpentane 94.3
    2-methyltetrahydrofuran 1156.4
    n-hexyl acetate 725.73
    isooctane 76.01
    2-(2-butoxyethoxy)ethanol 406.55
    sec-butyl acetate 330.02
    tert-butyl acetate 457.03
    decalin 164.93
    glycerin 114.83
    diglyme 722.21
    acrylic acid 200.88
    isopropyl myristate 363.52
    n-butyric acid 364.73
    acetyl acetate 346.45
    di(2-ethylhexyl) phthalate 317.92
    ethyl propionate 361.32
    nitromethane 431.73
    1,2-diethoxyethane 504.75
    benzonitrile 758.51
    trioctyl phosphate 249.28
    1-bromopropane 659.67
    gamma-valerolactone 1415.98
    n-decanol 246.83
    triethyl phosphate 276.68
    4-methyl-2-pentanol 198.53
    propionitrile 361.89
    vinylene carbonate 711.56
    1,1,2-trichlorotrifluoroethane 605.48
    DMS 542.63
    cumene 330.16
    2-octanol 294.99
    2-hexanone 524.02
    octyl acetate 431.67
    limonene 514.06
    1,2-dimethoxyethane 701.43
    ethyl orthosilicate 255.83
    tributyl phosphate 280.77
    diacetone alcohol 395.21
    N,N-dimethylaniline 487.34
    acrylonitrile 421.06
    aniline 506.67
    1,3-propanediol 178.55
    bromobenzene 1170.37
    dibromomethane 1117.78
    1,1,2,2-tetrachloroethane 1409.68
    2-methyl-cyclohexyl acetate 512.31
    tetrabutyl urea 385.66
    diisobutyl methanol 240.84
    2-phenylethanol 528.35
    styrene 544.86
    dioctyl adipate 424.04
    dimethyl sulfate 396.27
    ethyl butyrate 483.49
    methyl lactate 194.62
    butyl lactate 338.57
    diethyl carbonate 335.13
    propanediol butyl ether 306.88
    triethyl orthoformate 353.74
    p-tert-butyltoluene 370.11
    methyl 4-tert-butylbenzoate 543.58
    morpholine 896.31
    tert-butylamine 300.21
    n-dodecanol 202.25
    dimethoxymethane 585.05
    ethylene carbonate 570.54
    cyrene 466.78
    2-ethoxyethyl acetate 567.52
    2-ethylhexyl acetate 615.38
    1,2,4-trichlorobenzene 992.18
    4-methylpyridine 1235.22
    dibutyl ether 460.19
    2,6-dimethyl-4-heptanol 240.84
    DEF 636.58
    dimethyl isosorbide 791.2
    tetrachloroethylene 960.07
    eugenol 468.67
    triacetin 513.66
    span 80 417.54
    1,4-butanediol 111.75
    1,1-dichloroethane 1004.0
    2-methyl-1-pentanol 303.16
    methyl formate 286.84
    2-methyl-1-butanol 322.3
    n-decane 129.63
    butyronitrile 452.56
    3,7-dimethyl-1-octanol 338.17
    1-chlorooctane 387.32
    1-chlorotetradecane 186.14
    n-nonane 131.05
    undecane 103.96
    tert-butylcyclohexane 154.58
    cyclooctane 120.08
    cyclopentanol 536.65
    tetrahydropyran 1033.63
    tert-amyl methyl ether 459.31
    2,5,8-trioxanonane 554.48
    1-hexene 354.99
    2-isopropoxyethanol 277.09
    2,2,2-trifluoroethanol 106.67
    methyl butyrate 500.75

    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