Thiazole, 4-butyl-5-methyl-

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  • Identifiers

    CAS number
    57246-60-3

    Molecular formula
    C8H13NS

    SMILES
    CCCCC1=C(SC=N1)C

  • Odor profile

    Fragrance
    Green 87.6%
    Vegetable 63.63%
    Nutty 57.86%
    Roasted 50.85%
    Meaty 46.27%
    Earthy 45.99%
    Herbal 34.17%
    Musty 30.19%
    Leafy 28.6%
    Fatty 28.26%

     

    Flavor
    Green 87.87%
    Nutty 58.89%
    Earthy 54.81%
    Vegetable 49.03%
    Pepper 47.66%
    Raw 40.38%
    Herbal 40.38%
    Fatty 39.95%
    Roasted 39.48%
    Meaty 34.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.67 (neutral)

    Molecular weight
    155.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 75.18 ˚C est.

  • Synonyms

    • 4-Butyl-5-methylthiazole
    • 4-butyl-5-methyl-1,3-thiazole
    • 57246-60-3
    • Thiazole, 4-butyl-5-methyl-
    • EINECS 260-645-0
    • UNII-6SMO0I83KL
    • 6SMO0I83KL
    • 4-Butyl-5-methyl-Thiazole
    • DTXSID6069165
    • 4-butyl-5-methyl thiazole
    • DTXCID8042187
    • FOBITDGBIATDTQ-UHFFFAOYSA-N
    • AKOS006371258
    • DB-316448
    • NS00012056
    • Q27265450

  • Applications

    Thiazole, 4-butyl-5-methyl- (CAS 57246-60-3) is primarily used as an aromatic building block and a specialty intermediate. In fragrance and cosmetics, it can serve as an odorant component and as a fragrance ingredient in personal care products. In the flavor industry, it may be evaluated as a flavor-active compound to influence aroma profiles. In industrial chemistry and pharmaceutical contexts, it is used as an intermediate in the synthesis of heterocyclic compounds, acting as a building block for pharmaceutical products or agrochemical ingredients. Additionally, it may be employed as a building block in the manufacture of specialty chemicals for coatings, inks, and other industrial chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 212.56
    methanol 151.27
    isopropanol 178.74
    water 0.31
    ethyl acetate 248.19
    n-propanol 193.26
    acetone 348.3
    n-butanol 219.86
    acetonitrile 226.71
    DMF 419.19
    toluene 369.63
    isobutanol 179.39
    1,4-dioxane 552.91
    methyl acetate 263.52
    THF 646.06
    2-butanone 348.2
    n-pentanol 194.94
    sec-butanol 203.92
    n-hexane 38.12
    ethylene glycol 33.82
    NMP 387.55
    cyclohexane 123.49
    DMSO 416.61
    n-butyl acetate 464.66
    n-octanol 173.14
    chloroform 1353.84
    n-propyl acetate 231.2
    acetic acid 189.08
    dichloromethane 1080.23
    cyclohexanone 582.82
    propylene glycol 62.7
    isopropyl acetate 170.17
    DMAc 341.1
    2-ethoxyethanol 207.92
    isopentanol 218.7
    n-heptane 71.04
    ethyl formate 216.18
    1,2-dichloroethane 558.44
    n-hexanol 327.08
    2-methoxyethanol 237.68
    isobutyl acetate 192.38
    tetrachloromethane 295.03
    n-pentyl acetate 240.94
    transcutol 682.57
    n-heptanol 169.68
    ethylbenzene 189.33
    MIBK 168.8
    2-propoxyethanol 337.7
    tert-butanol 242.76
    MTBE 241.48
    2-butoxyethanol 226.31
    propionic acid 161.97
    o-xylene 213.34
    formic acid 34.8
    diethyl ether 223.23
    m-xylene 215.6
    p-xylene 270.92
    chlorobenzene 474.91
    dimethyl carbonate 87.38
    n-octane 34.63
    formamide 59.12
    cyclopentanone 526.74
    2-pentanone 268.11
    anisole 279.09
    cyclopentyl methyl ether 292.34
    gamma-butyrolactone 449.47
    1-methoxy-2-propanol 207.14
    pyridine 661.32
    3-pentanone 212.68
    furfural 503.93
    n-dodecane 33.75
    diethylene glycol 181.92
    diisopropyl ether 84.87
    tert-amyl alcohol 224.83
    acetylacetone 273.48
    n-hexadecane 38.73
    acetophenone 272.8
    methyl propionate 185.38
    isopentyl acetate 383.13
    trichloroethylene 1095.55
    n-nonanol 150.51
    cyclohexanol 279.31
    benzyl alcohol 246.19
    2-ethylhexanol 238.41
    isooctanol 145.65
    dipropyl ether 233.59
    1,2-dichlorobenzene 410.21
    ethyl lactate 96.79
    propylene carbonate 350.42
    n-methylformamide 144.84
    2-pentanol 152.43
    n-pentane 42.52
    1-propoxy-2-propanol 281.31
    1-methoxy-2-propyl acetate 285.85
    2-(2-methoxypropoxy) propanol 218.97
    mesitylene 139.33
    ε-caprolactone 425.41
    p-cymene 160.17
    epichlorohydrin 537.49
    1,1,1-trichloroethane 643.18
    2-aminoethanol 78.96
    morpholine-4-carbaldehyde 430.48
    sulfolane 466.89
    2,2,4-trimethylpentane 33.79
    2-methyltetrahydrofuran 484.8
    n-hexyl acetate 288.04
    isooctane 27.34
    2-(2-butoxyethoxy)ethanol 283.56
    sec-butyl acetate 164.21
    tert-butyl acetate 197.25
    decalin 63.05
    glycerin 84.05
    diglyme 498.71
    acrylic acid 138.71
    isopropyl myristate 141.17
    n-butyric acid 274.72
    acetyl acetate 180.57
    di(2-ethylhexyl) phthalate 145.6
    ethyl propionate 164.13
    nitromethane 279.98
    1,2-diethoxyethane 367.92
    benzonitrile 438.59
    trioctyl phosphate 104.51
    1-bromopropane 382.32
    gamma-valerolactone 568.9
    n-decanol 120.8
    triethyl phosphate 122.18
    4-methyl-2-pentanol 104.52
    propionitrile 236.75
    vinylene carbonate 368.03
    1,1,2-trichlorotrifluoroethane 327.73
    DMS 178.53
    cumene 132.06
    2-octanol 131.11
    2-hexanone 272.26
    octyl acetate 164.01
    limonene 221.64
    1,2-dimethoxyethane 420.13
    ethyl orthosilicate 127.7
    tributyl phosphate 124.36
    diacetone alcohol 188.64
    N,N-dimethylaniline 203.68
    acrylonitrile 263.1
    aniline 299.13
    1,3-propanediol 132.69
    bromobenzene 570.25
    dibromomethane 756.05
    1,1,2,2-tetrachloroethane 831.81
    2-methyl-cyclohexyl acetate 237.51
    tetrabutyl urea 170.43
    diisobutyl methanol 130.73
    2-phenylethanol 289.51
    styrene 254.76
    dioctyl adipate 180.6
    dimethyl sulfate 130.03
    ethyl butyrate 271.83
    methyl lactate 90.44
    butyl lactate 167.13
    diethyl carbonate 182.49
    propanediol butyl ether 200.39
    triethyl orthoformate 200.32
    p-tert-butyltoluene 152.63
    methyl 4-tert-butylbenzoate 218.72
    morpholine 524.1
    tert-butylamine 186.45
    n-dodecanol 103.37
    dimethoxymethane 223.34
    ethylene carbonate 293.23
    cyrene 212.77
    2-ethoxyethyl acetate 285.75
    2-ethylhexyl acetate 325.86
    1,2,4-trichlorobenzene 434.44
    4-methylpyridine 660.87
    dibutyl ether 212.68
    2,6-dimethyl-4-heptanol 130.73
    DEF 267.71
    dimethyl isosorbide 372.11
    tetrachloroethylene 545.78
    eugenol 234.46
    triacetin 233.52
    span 80 237.69
    1,4-butanediol 81.87
    1,1-dichloroethane 591.88
    2-methyl-1-pentanol 195.23
    methyl formate 125.84
    2-methyl-1-butanol 198.88
    n-decane 50.05
    butyronitrile 315.55
    3,7-dimethyl-1-octanol 166.31
    1-chlorooctane 155.11
    1-chlorotetradecane 75.48
    n-nonane 49.4
    undecane 39.66
    tert-butylcyclohexane 55.22
    cyclooctane 44.53
    cyclopentanol 239.94
    tetrahydropyran 542.86
    tert-amyl methyl ether 178.16
    2,5,8-trioxanonane 366.45
    1-hexene 162.36
    2-isopropoxyethanol 173.77
    2,2,2-trifluoroethanol 67.11
    methyl butyrate 242.95

    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