4-Butyl-5-ethylthiazole

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  • Identifiers

    CAS number
    57246-62-5

    Molecular formula
    C9H15NS

    SMILES
    CCCCC1=C(SC=N1)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 91.44%
    Vegetable 66.7%
    Nutty 53.37%
    Earthy 46.05%
    Roasted 42.24%
    Meaty 39.87%
    Herbal 36.53%
    Leafy 31.18%
    Fatty 29.63%
    Musty 29.19%

     

    Flavor
    Green 91.13%
    Nutty 54.01%
    Earthy 51.02%
    Pepper 47.57%
    Vegetable 47.16%
    Herbal 46.78%
    Fruity 44.48%
    Fatty 44.38%
    Raw 38.51%
    Meaty 32.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.01 (neutral)

    Molecular weight
    169.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 80.38 ˚C est.

  • Synonyms

    • 4-Butyl-5-ethylthiazole
    • 4-butyl-5-ethyl-1,3-thiazole
    • 57246-62-5
    • RefChem:98246
    • CHEBI:188224
    • DTXSID301313560
    • AKOS006371260
    • 57246-62-5

  • Applications

    4-Butyl-5-ethylthiazole (CAS 57246-62-5) is an aromatic heterocycle that appears in fragrance and flavor contexts as an odorant and aroma-building block. It is commonly evaluated for use in perfumery and cosmetic formulations as a fragrance note and may contribute characteristics typical of thiazole derivatives. Beyond fragrance, it can serve as a chemical intermediate for the synthesis of more complex heterocycles and as a building block in pharmaceutical and agrochemical research within industrial manufacturing. It may also be explored as a component in flavor systems or in coatings and inks where a discrete heteroaromatic moiety is advantageous. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 533.96
    methanol 463.28
    isopropanol 445.45
    water 0.14
    ethyl acetate 644.78
    n-propanol 474.13
    acetone 1130.12
    n-butanol 516.69
    acetonitrile 602.18
    DMF 1249.07
    toluene 852.86
    isobutanol 439.27
    1,4-dioxane 1394.92
    methyl acetate 627.29
    THF 1657.55
    2-butanone 888.68
    n-pentanol 444.83
    sec-butanol 412.74
    n-hexane 123.15
    ethylene glycol 60.24
    NMP 1099.99
    cyclohexane 374.71
    DMSO 1048.4
    n-butyl acetate 1084.54
    n-octanol 278.11
    chloroform 2965.45
    n-propyl acetate 587.14
    acetic acid 477.32
    dichloromethane 2533.0
    cyclohexanone 1869.02
    propylene glycol 101.89
    isopropyl acetate 432.83
    DMAc 741.07
    2-ethoxyethanol 404.66
    isopentanol 485.47
    n-heptane 134.85
    ethyl formate 495.11
    1,2-dichloroethane 1636.56
    n-hexanol 648.46
    2-methoxyethanol 562.03
    isobutyl acetate 442.73
    tetrachloromethane 629.29
    n-pentyl acetate 526.51
    transcutol 1301.35
    n-heptanol 277.14
    ethylbenzene 357.39
    MIBK 437.51
    2-propoxyethanol 704.3
    tert-butanol 513.71
    MTBE 608.44
    2-butoxyethanol 386.49
    propionic acid 349.02
    o-xylene 361.89
    formic acid 74.9
    diethyl ether 742.93
    m-xylene 402.82
    p-xylene 475.81
    chlorobenzene 1197.63
    dimethyl carbonate 208.97
    n-octane 64.12
    formamide 127.82
    cyclopentanone 1513.77
    2-pentanone 715.58
    anisole 551.56
    cyclopentyl methyl ether 780.92
    gamma-butyrolactone 1262.65
    1-methoxy-2-propanol 415.23
    pyridine 1680.08
    3-pentanone 579.61
    furfural 1122.26
    n-dodecane 51.41
    diethylene glycol 350.5
    diisopropyl ether 221.32
    tert-amyl alcohol 422.76
    acetylacetone 694.02
    n-hexadecane 61.14
    acetophenone 528.67
    methyl propionate 451.56
    isopentyl acetate 853.71
    trichloroethylene 2879.72
    n-nonanol 243.21
    cyclohexanol 673.93
    benzyl alcohol 480.61
    2-ethylhexanol 412.47
    isooctanol 238.19
    dipropyl ether 532.61
    1,2-dichlorobenzene 928.51
    ethyl lactate 172.49
    propylene carbonate 832.48
    n-methylformamide 399.01
    2-pentanol 337.2
    n-pentane 114.12
    1-propoxy-2-propanol 532.06
    1-methoxy-2-propyl acetate 593.93
    2-(2-methoxypropoxy) propanol 328.37
    mesitylene 255.37
    ε-caprolactone 1094.2
    p-cymene 246.64
    epichlorohydrin 1458.99
    1,1,1-trichloroethane 1597.58
    2-aminoethanol 144.64
    morpholine-4-carbaldehyde 997.13
    sulfolane 1240.74
    2,2,4-trimethylpentane 67.57
    2-methyltetrahydrofuran 1269.18
    n-hexyl acetate 598.7
    isooctane 56.44
    2-(2-butoxyethoxy)ethanol 474.48
    sec-butyl acetate 364.07
    tert-butyl acetate 461.89
    decalin 133.64
    glycerin 140.56
    diglyme 914.87
    acrylic acid 299.19
    isopropyl myristate 253.22
    n-butyric acid 672.38
    acetyl acetate 449.95
    di(2-ethylhexyl) phthalate 233.59
    ethyl propionate 388.92
    nitromethane 681.12
    1,2-diethoxyethane 826.05
    benzonitrile 911.59
    trioctyl phosphate 169.35
    1-bromopropane 1033.0
    gamma-valerolactone 1488.83
    n-decanol 184.61
    triethyl phosphate 219.05
    4-methyl-2-pentanol 207.31
    propionitrile 608.45
    vinylene carbonate 794.34
    1,1,2-trichlorotrifluoroethane 741.69
    DMS 380.26
    cumene 214.28
    2-octanol 218.33
    2-hexanone 673.03
    octyl acetate 297.68
    limonene 394.97
    1,2-dimethoxyethane 1018.1
    ethyl orthosilicate 224.78
    tributyl phosphate 217.1
    diacetone alcohol 389.69
    N,N-dimethylaniline 354.62
    acrylonitrile 660.53
    aniline 678.59
    1,3-propanediol 274.6
    bromobenzene 1422.11
    dibromomethane 1809.67
    1,1,2,2-tetrachloroethane 2049.18
    2-methyl-cyclohexyl acetate 433.17
    tetrabutyl urea 301.76
    diisobutyl methanol 226.5
    2-phenylethanol 518.24
    styrene 554.12
    dioctyl adipate 310.85
    dimethyl sulfate 303.01
    ethyl butyrate 590.48
    methyl lactate 179.47
    butyl lactate 320.04
    diethyl carbonate 351.43
    propanediol butyl ether 323.93
    triethyl orthoformate 386.86
    p-tert-butyltoluene 237.29
    methyl 4-tert-butylbenzoate 358.02
    morpholine 1403.27
    tert-butylamine 373.97
    n-dodecanol 149.74
    dimethoxymethane 628.22
    ethylene carbonate 695.22
    cyrene 355.58
    2-ethoxyethyl acetate 591.82
    2-ethylhexyl acetate 721.7
    1,2,4-trichlorobenzene 944.12
    4-methylpyridine 1734.41
    dibutyl ether 478.74
    2,6-dimethyl-4-heptanol 226.5
    DEF 754.79
    dimethyl isosorbide 672.66
    tetrachloroethylene 1417.2
    eugenol 399.04
    triacetin 410.85
    span 80 372.07
    1,4-butanediol 143.28
    1,1-dichloroethane 1597.38
    2-methyl-1-pentanol 414.46
    methyl formate 340.95
    2-methyl-1-butanol 449.67
    n-decane 84.18
    butyronitrile 793.52
    3,7-dimethyl-1-octanol 263.47
    1-chlorooctane 294.05
    1-chlorotetradecane 128.89
    n-nonane 85.21
    undecane 63.19
    tert-butylcyclohexane 108.82
    cyclooctane 111.53
    cyclopentanol 573.62
    tetrahydropyran 1559.09
    tert-amyl methyl ether 383.1
    2,5,8-trioxanonane 604.53
    1-hexene 454.66
    2-isopropoxyethanol 319.6
    2,2,2-trifluoroethanol 141.34
    methyl butyrate 612.9

    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