4,5-Dimethyl-2-isobutylthiazole

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  • Identifiers

    CAS number
    53498-32-1

    Molecular formula
    C9H15NS

    SMILES
    CC1=C(SC(=N1)CC(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 78.74%
    Nutty 61.23%
    Vegetable 60.08%
    Roasted 54.91%
    Earthy 52.27%
    Fruity 47.2%
    Meaty 42.08%
    Burnt 40.59%
    Tropical 38.48%
    Cocoa 37.01%

     

    Flavor
    Roasted 51.54%
    Earthy 49.64%
    Green 48.37%
    Burnt 44.49%
    Earth 38.35%
    Vegetable 37.61%
    Musty 33.6%
    Nutty 33.2%
    Meaty 31.15%
    Hazelnut 30.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.08 (neutral)

    Molecular weight
    169.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 67.5 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Isobutyl-4,5-dimethylthiazole
    • 53498-32-1
    • geranium thiazole
    • 4,5-DIMETHYL-2-ISOBUTYL THIAZOLE
    • 4,5-Dimethyl-2-isobutylthiazole
    • 4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole
    • Thiazole, 4,5-dimethyl-2-(2-methylpropyl)-
    • 5P82VD25ZI
    • EINECS 258-586-0
    • DTXSID6068858
    • FEMA NO. 4647
    • UNII-5P82VD25ZI
    • MFCD00053136
    • SCHEMBL3505082
    • DTXCID9041447
    • 2-iso-Butyl-4,5-dimethylthiazole
    • 2-Isobutyl-4,5-dimethyl thiazole
    • Thiazole, 2-isobutyl-4,5-dimethyl
    • AKOS025394737
    • 2-(2-methylpropyl)-4,5-dimethylthiazole
    • BP-10466
    • BS-22919
    • 2-Isobutyl-4,5-dimethyl-1,3-thiazole #
    • DB-052345
    • 4,5-dimethyl-2-(2-methyl-propyl)-thiazole
    • NS00022320
    • Q27262680
    • 258-586-0

  • Applications

    4,5-Dimethyl-2-isobutylthiazole (CAS 53498-32-1) is a thiazole derivative primarily used as an odorant in fragrance and flavor applications, functioning as a fragrance ingredient in cosmetics and perfumery; it may also be evaluated for flavor-related aroma use in foods and beverages. In the cosmetics and household sectors, it can serve as a scented component in personal care products, shampoos, and cleaners. Industrially, it may act as an intermediate in pharmaceutical synthesis or be used as an odorant additive in plastics and polymer systems. Any use is subject to local regulations and formulation compatibility, and the statements here are for reference and do not constitute guarantees.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 246.45
    methanol 191.17
    isopropanol 260.62
    water 0.63
    ethyl acetate 355.04
    n-propanol 260.87
    acetone 471.55
    n-butanol 304.67
    acetonitrile 282.73
    DMF 489.17
    toluene 516.96
    isobutanol 264.96
    1,4-dioxane 873.41
    methyl acetate 345.96
    THF 1438.41
    2-butanone 435.18
    n-pentanol 266.1
    sec-butanol 303.0
    n-hexane 172.85
    ethylene glycol 39.36
    NMP 744.14
    cyclohexane 339.11
    DMSO 354.03
    n-butyl acetate 533.0
    n-octanol 341.18
    chloroform 1467.76
    n-propyl acetate 286.35
    acetic acid 242.76
    dichloromethane 1026.5
    cyclohexanone 925.53
    propylene glycol 102.64
    isopropyl acetate 274.1
    DMAc 461.25
    2-ethoxyethanol 209.34
    isopentanol 307.16
    n-heptane 214.81
    ethyl formate 246.47
    1,2-dichloroethane 497.93
    n-hexanol 570.21
    2-methoxyethanol 281.6
    isobutyl acetate 258.46
    tetrachloromethane 323.62
    n-pentyl acetate 341.81
    transcutol 626.16
    n-heptanol 277.4
    ethylbenzene 288.36
    MIBK 295.86
    2-propoxyethanol 511.83
    tert-butanol 365.91
    MTBE 426.75
    2-butoxyethanol 291.06
    propionic acid 218.51
    o-xylene 313.02
    formic acid 38.86
    diethyl ether 369.36
    m-xylene 346.0
    p-xylene 427.2
    chlorobenzene 551.92
    dimethyl carbonate 147.88
    n-octane 87.14
    formamide 58.56
    cyclopentanone 958.28
    2-pentanone 402.6
    anisole 375.46
    cyclopentyl methyl ether 684.81
    gamma-butyrolactone 803.95
    1-methoxy-2-propanol 304.75
    pyridine 699.91
    3-pentanone 326.23
    furfural 650.66
    n-dodecane 80.83
    diethylene glycol 244.14
    diisopropyl ether 196.12
    tert-amyl alcohol 349.13
    acetylacetone 421.92
    n-hexadecane 94.12
    acetophenone 359.12
    methyl propionate 287.93
    isopentyl acetate 503.74
    trichloroethylene 1004.87
    n-nonanol 293.81
    cyclohexanol 516.94
    benzyl alcohol 302.37
    2-ethylhexanol 403.88
    isooctanol 237.33
    dipropyl ether 408.27
    1,2-dichlorobenzene 464.54
    ethyl lactate 156.37
    propylene carbonate 594.87
    n-methylformamide 166.21
    2-pentanol 261.67
    n-pentane 145.23
    1-propoxy-2-propanol 442.72
    1-methoxy-2-propyl acetate 442.96
    2-(2-methoxypropoxy) propanol 332.78
    mesitylene 246.55
    ε-caprolactone 696.2
    p-cymene 261.9
    epichlorohydrin 735.64
    1,1,1-trichloroethane 720.48
    2-aminoethanol 99.5
    morpholine-4-carbaldehyde 681.75
    sulfolane 826.94
    2,2,4-trimethylpentane 93.09
    2-methyltetrahydrofuran 1019.33
    n-hexyl acetate 533.1
    isooctane 72.52
    2-(2-butoxyethoxy)ethanol 396.44
    sec-butyl acetate 228.51
    tert-butyl acetate 342.38
    decalin 151.19
    glycerin 117.09
    diglyme 567.95
    acrylic acid 176.24
    isopropyl myristate 263.34
    n-butyric acid 369.39
    acetyl acetate 283.53
    di(2-ethylhexyl) phthalate 256.39
    ethyl propionate 238.49
    nitromethane 316.0
    1,2-diethoxyethane 392.31
    benzonitrile 489.7
    trioctyl phosphate 187.99
    1-bromopropane 443.23
    gamma-valerolactone 905.57
    n-decanol 232.44
    triethyl phosphate 195.51
    4-methyl-2-pentanol 196.94
    propionitrile 270.77
    vinylene carbonate 497.48
    1,1,2-trichlorotrifluoroethane 433.07
    DMS 332.75
    cumene 208.35
    2-octanol 251.17
    2-hexanone 377.9
    octyl acetate 319.54
    limonene 410.2
    1,2-dimethoxyethane 477.57
    ethyl orthosilicate 198.26
    tributyl phosphate 215.73
    diacetone alcohol 331.92
    N,N-dimethylaniline 293.93
    acrylonitrile 261.2
    aniline 382.51
    1,3-propanediol 168.6
    bromobenzene 653.84
    dibromomethane 788.39
    1,1,2,2-tetrachloroethane 858.26
    2-methyl-cyclohexyl acetate 411.62
    tetrabutyl urea 277.11
    diisobutyl methanol 219.97
    2-phenylethanol 413.69
    styrene 326.51
    dioctyl adipate 306.79
    dimethyl sulfate 199.24
    ethyl butyrate 340.98
    methyl lactate 156.87
    butyl lactate 264.71
    diethyl carbonate 248.35
    propanediol butyl ether 322.07
    triethyl orthoformate 285.13
    p-tert-butyltoluene 269.64
    methyl 4-tert-butylbenzoate 349.28
    morpholine 830.03
    tert-butylamine 295.27
    n-dodecanol 195.85
    dimethoxymethane 341.23
    ethylene carbonate 420.74
    cyrene 359.89
    2-ethoxyethyl acetate 377.59
    2-ethylhexyl acetate 457.32
    1,2,4-trichlorobenzene 564.85
    4-methylpyridine 815.0
    dibutyl ether 379.04
    2,6-dimethyl-4-heptanol 219.97
    DEF 387.89
    dimethyl isosorbide 610.34
    tetrachloroethylene 535.09
    eugenol 323.33
    triacetin 379.73
    span 80 408.76
    1,4-butanediol 103.81
    1,1-dichloroethane 630.81
    2-methyl-1-pentanol 285.73
    methyl formate 165.37
    2-methyl-1-butanol 299.56
    n-decane 124.12
    butyronitrile 389.15
    3,7-dimethyl-1-octanol 323.72
    1-chlorooctane 308.84
    1-chlorotetradecane 152.89
    n-nonane 128.11
    undecane 96.87
    tert-butylcyclohexane 134.2
    cyclooctane 142.55
    cyclopentanol 502.07
    tetrahydropyran 997.47
    tert-amyl methyl ether 352.71
    2,5,8-trioxanonane 453.19
    1-hexene 346.87
    2-isopropoxyethanol 210.11
    2,2,2-trifluoroethanol 102.95
    methyl butyrate 315.17

    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