2-Isobutyl-4-methylthiazole

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  • Identifiers

    CAS number
    61323-24-8

    Molecular formula
    C8H13NS

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

  • Odor profile

    Fragrance
    Green 91.03%
    Vegetable 70.67%
    Fruity 54.44%
    Tropical 52.7%
    Nutty 50.55%
    Earthy 44.17%
    Tomato 40.66%
    Leafy 39.8%
    Meaty 39.56%
    Roasted 38.02%

     

    Flavor
    Green 77.62%
    Earthy 52.46%
    Vegetable 45.99%
    Roasted 43.65%
    Pepper 35.97%
    Earth 34.16%
    Burnt 32.85%
    Tomato 31.19%
    Metallic 30.65%
    Pea 29.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.4 (neutral)

    Molecular weight
    155.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    208°C

    Flash point

    • 66.83 ˚C est.

  • Synonyms

    • 2-Isobutyl-4-methylthiazole
    • 61323-24-8
    • 4-methyl-2-(2-methylpropyl)-1,3-thiazole
    • Thiazole, 4-methyl-2-(2-methylpropyl)-
    • EINECS 262-709-3
    • 2-isobutyl-4-methyl thiazole
    • DTXSID80210226
    • 4-methyl-2-(2-methylpropyl)thiazole
    • MFCD00053138
    • GZ8GQB4UNP
    • 2-iso-Butyl-4-methylthiazole
    • SCHEMBL3934510
    • Thiazole, 2-isobutyl-4-methyl
    • JBUCYVMFLWLDIO-UHFFFAOYSA-
    • DTXCID80132717
    • AKOS006230413
    • 2-Isobutyl-4-methyl-1,3-thiazole #
    • AS-59217
    • CS-0197321
    • I0442
    • NS00022498
    • 2-Isobutyl-4-methyl-1,3-thiazole, AldrichCPR
    • D91154
    • Q63409001
    • InChI=1/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3
    • 262-709-3

  • Applications

    2-Isobutyl-4-methylthiazole (CAS 61323-24-8) is a heterocyclic thiazole derivative used primarily as an aroma and flavor ingredient to impart sulfurous or savory notes in fragrance formulations and food-related flavor systems; it also serves as a useful intermediate in organic synthesis to prepare other thiazole-containing compounds; in cosmetics and personal care, it may be used as a fragrance ingredient; in household cleaning products as an additional scent additive; and in industrial manufacturing as a specialty chemical building block for downstream synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 141.08
    methanol 143.28
    isopropanol 151.91
    water 0.84
    ethyl acetate 191.77
    n-propanol 151.61
    acetone 314.83
    n-butanol 170.83
    acetonitrile 155.17
    DMF 393.09
    toluene 268.55
    isobutanol 167.11
    1,4-dioxane 429.37
    methyl acetate 189.11
    THF 761.41
    2-butanone 231.11
    n-pentanol 154.13
    sec-butanol 162.3
    n-hexane 102.94
    ethylene glycol 47.45
    NMP 533.15
    cyclohexane 224.41
    DMSO 339.29
    n-butyl acetate 282.67
    n-octanol 218.78
    chloroform 741.98
    n-propyl acetate 156.67
    acetic acid 180.79
    dichloromethane 519.08
    cyclohexanone 569.93
    propylene glycol 95.48
    isopropyl acetate 154.74
    DMAc 320.52
    2-ethoxyethanol 128.94
    isopentanol 172.55
    n-heptane 145.35
    ethyl formate 136.83
    1,2-dichloroethane 296.49
    n-hexanol 372.37
    2-methoxyethanol 190.83
    isobutyl acetate 154.48
    tetrachloromethane 171.5
    n-pentyl acetate 186.58
    transcutol 392.04
    n-heptanol 164.55
    ethylbenzene 151.13
    MIBK 187.23
    2-propoxyethanol 337.73
    tert-butanol 234.19
    MTBE 219.58
    2-butoxyethanol 174.13
    propionic acid 162.21
    o-xylene 189.32
    formic acid 32.68
    diethyl ether 188.27
    m-xylene 202.18
    p-xylene 208.44
    chlorobenzene 307.38
    dimethyl carbonate 109.0
    n-octane 55.35
    formamide 41.33
    cyclopentanone 590.97
    2-pentanone 234.63
    anisole 213.74
    cyclopentyl methyl ether 405.09
    gamma-butyrolactone 496.89
    1-methoxy-2-propanol 204.4
    pyridine 352.23
    3-pentanone 194.41
    furfural 432.92
    n-dodecane 55.01
    diethylene glycol 200.93
    diisopropyl ether 113.08
    tert-amyl alcohol 197.04
    acetylacetone 271.29
    n-hexadecane 62.87
    acetophenone 217.63
    methyl propionate 182.57
    isopentyl acetate 272.68
    trichloroethylene 561.46
    n-nonanol 187.15
    cyclohexanol 312.83
    benzyl alcohol 183.24
    2-ethylhexanol 253.04
    isooctanol 139.0
    dipropyl ether 249.63
    1,2-dichlorobenzene 276.47
    ethyl lactate 114.63
    propylene carbonate 363.5
    n-methylformamide 120.92
    2-pentanol 145.57
    n-pentane 89.49
    1-propoxy-2-propanol 285.16
    1-methoxy-2-propyl acetate 268.56
    2-(2-methoxypropoxy) propanol 239.71
    mesitylene 154.31
    ε-caprolactone 411.74
    p-cymene 163.07
    epichlorohydrin 421.2
    1,1,1-trichloroethane 416.93
    2-aminoethanol 87.91
    morpholine-4-carbaldehyde 434.48
    sulfolane 676.64
    2,2,4-trimethylpentane 55.55
    2-methyltetrahydrofuran 504.06
    n-hexyl acetate 318.56
    isooctane 43.43
    2-(2-butoxyethoxy)ethanol 270.42
    sec-butyl acetate 126.17
    tert-butyl acetate 201.34
    decalin 96.69
    glycerin 121.56
    diglyme 369.82
    acrylic acid 153.5
    isopropyl myristate 172.19
    n-butyric acid 221.24
    acetyl acetate 167.25
    di(2-ethylhexyl) phthalate 181.75
    ethyl propionate 139.55
    nitromethane 212.9
    1,2-diethoxyethane 202.0
    benzonitrile 273.39
    trioctyl phosphate 135.83
    1-bromopropane 246.2
    gamma-valerolactone 527.51
    n-decanol 155.91
    triethyl phosphate 128.0
    4-methyl-2-pentanol 113.91
    propionitrile 160.24
    vinylene carbonate 315.2
    1,1,2-trichlorotrifluoroethane 315.41
    DMS 214.75
    cumene 122.3
    2-octanol 143.63
    2-hexanone 206.22
    octyl acetate 214.99
    limonene 262.97
    1,2-dimethoxyethane 273.71
    ethyl orthosilicate 125.46
    tributyl phosphate 152.43
    diacetone alcohol 226.0
    N,N-dimethylaniline 182.46
    acrylonitrile 162.04
    aniline 222.57
    1,3-propanediol 115.8
    bromobenzene 361.81
    dibromomethane 414.98
    1,1,2,2-tetrachloroethane 522.28
    2-methyl-cyclohexyl acetate 256.05
    tetrabutyl urea 205.94
    diisobutyl methanol 143.64
    2-phenylethanol 258.71
    styrene 173.2
    dioctyl adipate 214.67
    dimethyl sulfate 178.99
    ethyl butyrate 186.18
    methyl lactate 127.57
    butyl lactate 171.12
    diethyl carbonate 142.18
    propanediol butyl ether 221.72
    triethyl orthoformate 159.81
    p-tert-butyltoluene 166.81
    methyl 4-tert-butylbenzoate 243.18
    morpholine 401.41
    tert-butylamine 183.87
    n-dodecanol 136.5
    dimethoxymethane 233.88
    ethylene carbonate 259.07
    cyrene 260.41
    2-ethoxyethyl acetate 199.26
    2-ethylhexyl acetate 242.15
    1,2,4-trichlorobenzene 343.98
    4-methylpyridine 385.36
    dibutyl ether 220.22
    2,6-dimethyl-4-heptanol 143.64
    DEF 229.32
    dimethyl isosorbide 425.9
    tetrachloroethylene 324.57
    eugenol 222.4
    triacetin 261.98
    span 80 301.95
    1,4-butanediol 78.82
    1,1-dichloroethane 328.36
    2-methyl-1-pentanol 157.38
    methyl formate 120.97
    2-methyl-1-butanol 167.72
    n-decane 80.15
    butyronitrile 201.45
    3,7-dimethyl-1-octanol 203.19
    1-chlorooctane 191.54
    1-chlorotetradecane 102.59
    n-nonane 83.08
    undecane 64.61
    tert-butylcyclohexane 82.44
    cyclooctane 94.43
    cyclopentanol 314.73
    tetrahydropyran 467.29
    tert-amyl methyl ether 190.81
    2,5,8-trioxanonane 331.8
    1-hexene 180.16
    2-isopropoxyethanol 132.14
    2,2,2-trifluoroethanol 75.98
    methyl butyrate 181.83

    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