2-Butyl-4,5-dimethylthiazole

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  • Identifiers

    CAS number
    76572-48-0

    Molecular formula
    C9H15NS

    SMILES
    CCCCC1=NC(=C(S1)C)C

  • Odor profile

    Fragrance
    Green 74.94%
    Nutty 66.82%
    Roasted 65.31%
    Vegetable 57.02%
    Meaty 54.02%
    Earthy 49.2%
    Burnt 40.41%
    Fruity 38.74%
    Cocoa 35.93%
    Sulfurous 33.45%

     

    Flavor
    Green 66.08%
    Earthy 53.1%
    Nutty 50.56%
    Roasted 49.89%
    Vegetable 44.01%
    Meaty 37.53%
    Burnt 36.84%
    Pepper 36.48%
    Hazelnut 32.31%
    Earth 32.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.5 (neutral)

    Molecular weight
    169.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    232°C

    Flash point

    • 72.57 ˚C est.

  • Synonyms

    • 2-BUTYL-4,5-DIMETHYLTHIAZOLE
    • 76572-48-0
    • 1LNJ91K65X
    • Thiazole, 2-butyl-4,5-dimethyl-
    • 2-Butyl-4,5-dimethyl-1,3-thiazole
    • UNII-1LNJ91K65X
    • 2-butyl-4,5-dimethyl thiazole
    • 2-Butyl-4,5-dimethyl-thiazole
    • 2-n-Butyl-4,5-dimethylthiazole
    • DTXSID90227380
    • OHJFDYDPHXVQBC-UHFFFAOYSA-N
    • 2-BUTYL-4,5-DIMETHLTHIAZOLE
    • 2-Butyl-4,5-dimethyl-1,3-thiazole #
    • NS00124043
    • Q63398312

  • Applications

    2-Butyl-4,5-dimethylthiazole is used as an odorant and fragrance ingredient in fragrance and perfumery applications, and may be evaluated for use as a flavor aroma in certain processed foods on an exploratory basis. In cosmetics and personal care, as well as in household cleaning products, it can serve as an aroma component contributing scent. In industrial manufacturing, it can function as an intermediate or building block for the synthesis of specialty chemicals. In pharmaceutical research and medicinal chemistry, it may be explored as a heterocyclic precursor for drug development programs. These applications are subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 375.86
    methanol 338.26
    isopropanol 372.99
    water 0.43
    ethyl acetate 514.6
    n-propanol 389.32
    acetone 674.19
    n-butanol 453.95
    acetonitrile 346.03
    DMF 884.03
    toluene 743.15
    isobutanol 386.59
    1,4-dioxane 1293.71
    methyl acetate 485.72
    THF 1494.9
    2-butanone 669.88
    n-pentanol 386.25
    sec-butanol 430.29
    n-hexane 150.33
    ethylene glycol 60.46
    NMP 899.74
    cyclohexane 294.75
    DMSO 594.2
    n-butyl acetate 757.4
    n-octanol 317.38
    chloroform 2099.55
    n-propyl acetate 424.78
    acetic acid 315.68
    dichloromethane 1418.46
    cyclohexanone 1206.97
    propylene glycol 122.31
    isopropyl acetate 429.91
    DMAc 872.23
    2-ethoxyethanol 407.38
    isopentanol 500.24
    n-heptane 123.36
    ethyl formate 314.19
    1,2-dichloroethane 884.84
    n-hexanol 601.73
    2-methoxyethanol 545.87
    isobutyl acetate 390.32
    tetrachloromethane 476.5
    n-pentyl acetate 450.07
    transcutol 1234.05
    n-heptanol 311.49
    ethylbenzene 374.06
    MIBK 414.39
    2-propoxyethanol 678.25
    tert-butanol 511.98
    MTBE 713.18
    2-butoxyethanol 415.16
    propionic acid 266.45
    o-xylene 421.68
    formic acid 64.0
    diethyl ether 613.39
    m-xylene 443.65
    p-xylene 547.69
    chlorobenzene 848.74
    dimethyl carbonate 201.48
    n-octane 67.88
    formamide 93.31
    cyclopentanone 1105.23
    2-pentanone 560.92
    anisole 561.12
    cyclopentyl methyl ether 748.05
    gamma-butyrolactone 938.11
    1-methoxy-2-propanol 462.42
    pyridine 1081.3
    3-pentanone 491.92
    furfural 909.61
    n-dodecane 56.28
    diethylene glycol 356.45
    diisopropyl ether 245.32
    tert-amyl alcohol 495.1
    acetylacetone 622.83
    n-hexadecane 66.29
    acetophenone 513.61
    methyl propionate 367.49
    isopentyl acetate 708.79
    trichloroethylene 1667.56
    n-nonanol 276.96
    cyclohexanol 606.76
    benzyl alcohol 437.25
    2-ethylhexanol 417.0
    isooctanol 275.3
    dipropyl ether 430.0
    1,2-dichlorobenzene 705.19
    ethyl lactate 176.96
    propylene carbonate 633.0
    n-methylformamide 237.1
    2-pentanol 356.69
    n-pentane 120.42
    1-propoxy-2-propanol 541.58
    1-methoxy-2-propyl acetate 591.42
    2-(2-methoxypropoxy) propanol 407.49
    mesitylene 296.34
    ε-caprolactone 877.09
    p-cymene 258.28
    epichlorohydrin 1083.57
    1,1,1-trichloroethane 1087.62
    2-aminoethanol 148.55
    morpholine-4-carbaldehyde 970.22
    sulfolane 994.28
    2,2,4-trimethylpentane 94.76
    2-methyltetrahydrofuran 1191.79
    n-hexyl acetate 607.94
    isooctane 69.45
    2-(2-butoxyethoxy)ethanol 529.67
    sec-butyl acetate 355.75
    tert-butyl acetate 503.76
    decalin 151.71
    glycerin 173.34
    diglyme 901.27
    acrylic acid 221.5
    isopropyl myristate 270.36
    n-butyric acid 504.8
    acetyl acetate 401.77
    di(2-ethylhexyl) phthalate 266.17
    ethyl propionate 316.74
    nitromethane 435.19
    1,2-diethoxyethane 681.12
    benzonitrile 687.4
    trioctyl phosphate 177.88
    1-bromopropane 673.46
    gamma-valerolactone 1200.46
    n-decanol 208.55
    triethyl phosphate 217.32
    4-methyl-2-pentanol 255.72
    propionitrile 404.78
    vinylene carbonate 585.82
    1,1,2-trichlorotrifluoroethane 648.45
    DMS 408.01
    cumene 263.05
    2-octanol 265.86
    2-hexanone 528.61
    octyl acetate 317.58
    limonene 393.85
    1,2-dimethoxyethane 884.09
    ethyl orthosilicate 233.66
    tributyl phosphate 226.67
    diacetone alcohol 442.32
    N,N-dimethylaniline 423.14
    acrylonitrile 390.96
    aniline 592.99
    1,3-propanediol 271.91
    bromobenzene 983.52
    dibromomethane 1021.32
    1,1,2,2-tetrachloroethane 1477.92
    2-methyl-cyclohexyl acetate 433.25
    tetrabutyl urea 286.33
    diisobutyl methanol 236.23
    2-phenylethanol 518.08
    styrene 495.31
    dioctyl adipate 310.59
    dimethyl sulfate 308.51
    ethyl butyrate 431.25
    methyl lactate 198.29
    butyl lactate 311.29
    diethyl carbonate 292.97
    propanediol butyl ether 371.74
    triethyl orthoformate 336.41
    p-tert-butyltoluene 259.08
    methyl 4-tert-butylbenzoate 408.56
    morpholine 1172.51
    tert-butylamine 389.64
    n-dodecanol 169.59
    dimethoxymethane 540.87
    ethylene carbonate 505.48
    cyrene 413.86
    2-ethoxyethyl acetate 542.17
    2-ethylhexyl acetate 621.32
    1,2,4-trichlorobenzene 825.86
    4-methylpyridine 1267.59
    dibutyl ether 429.47
    2,6-dimethyl-4-heptanol 236.23
    DEF 591.41
    dimethyl isosorbide 697.12
    tetrachloroethylene 963.1
    eugenol 437.95
    triacetin 465.83
    span 80 425.94
    1,4-butanediol 146.34
    1,1-dichloroethane 1002.31
    2-methyl-1-pentanol 443.56
    methyl formate 218.49
    2-methyl-1-butanol 462.23
    n-decane 91.56
    butyronitrile 540.16
    3,7-dimethyl-1-octanol 330.23
    1-chlorooctane 296.4
    1-chlorotetradecane 131.54
    n-nonane 93.88
    undecane 68.77
    tert-butylcyclohexane 140.88
    cyclooctane 106.03
    cyclopentanol 518.87
    tetrahydropyran 1236.56
    tert-amyl methyl ether 539.19
    2,5,8-trioxanonane 613.77
    1-hexene 438.6
    2-isopropoxyethanol 345.13
    2,2,2-trifluoroethanol 127.7
    methyl butyrate 453.72

    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