2-Isobutylthiazole

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  • Identifiers

    CAS number
    18640-74-9

    Molecular formula
    C7H11NS

    SMILES
    CC(C)CC1=NC=CS1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 95.53%
    Vegetable 77.16%
    Leafy 50.55%
    Earthy 50.15%
    Nutty 48.83%
    Herbal 48.24%
    Tomato 44.21%
    Tropical 35.28%
    Metallic 34.19%
    Musty 31.53%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.45 (weak acid)

    Molecular weight
    141.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point est.
    59.7 ˚C

    Solubility expt.

    • Slightly soluble water; Soluble in fats
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-ISOBUTYLTHIAZOLE
    • 18640-74-9
    • Thiazole, 2-isobutyl-
    • 2-Isobutyl-1,3-thiazole
    • 2-(2-methylpropyl)-1,3-thiazole
    • Thiazole, 2-(2-methylpropyl)-
    • 2-(2-Methylpropyl)thiazole
    • FEMA No. 3134
    • 2-(2-Methylpropyl) thiazole
    • EINECS 242-470-1
    • NSC 290430
    • 7N03TDY75D
    • DTXSID5025653
    • NSC-290430
    • DTXCID405653
    • FEMA 3134
    • CHEBI:133683
    • 2-ISOBUTYLTHIAZOLE [FHFI]
    • 2-ISOBUTYL THIAZOLE
    • Thiazole, (2-methylpropyl)-
    • UNII-7N03TDY75D
    • isobutylthiazole
    • 2-(2-Methylpropyl)-thiazole
    • 2-iso-butylthiazole
    • 2-isobutyl-thiazole
    • MFCD00005334
    • 2-Isobutylthiazole, 8CI
    • 2-Isobutylthiazole, 99%
    • MLS001050182
    • 2-Isobutyl-1,3-thiazole #
    • SCHEMBL104654
    • Thiazole, 2-isobutyl-(8CI)
    • CHEMBL1870000
    • Thiazole, 2-isobutyl- (8CI)
    • HMS2268E14
    • 2-Isobutylthiazole, >=99%, FG
    • Tox21_200301
    • NSC290430
    • AKOS006220477
    • DS-6430
    • NCGC00091727-01
    • NCGC00091727-02
    • NCGC00257855-01
    • SMR000112244
    • CAS-18640-74-9
    • DB-021245
    • CS-0154238
    • I0652
    • NS00012692
    • O10809
    • EN300-1238472
    • Q17193142
    • 242-470-1

  • Applications

    2-Isobutylthiazole (CAS 18640-74-9) is a powerful green-leaf odorant reminiscent of tomato foliage, widely employed by flavor houses and food & beverage manufacturers to recreate or boost fresh vegetal notes in tomato juice, soups, sauces, vegetable snacks, craft beers, and natural soft drinks; it also appears in niche perfumery to add herbal-earthy nuances, serves as an analytical GC-MS reference standard in studies on aroma changes during storage, functions as an odor marker for packaging evaluations, features in professional sensory training kits, supports structure-odor relationship research, and is occasionally explored as an ecological insect attractant in agriculture, all while users must respect FEMA/ISO concentration limits and chemical safety regulations due to its extremely potent smell.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 109.46
    methanol 106.39
    isopropanol 130.9
    water 0.97
    ethyl acetate 172.02
    n-propanol 136.47
    acetone 312.34
    n-butanol 144.88
    acetonitrile 121.35
    DMF 365.17
    toluene 176.06
    isobutanol 149.58
    1,4-dioxane 303.19
    methyl acetate 188.21
    THF 593.42
    2-butanone 264.52
    n-pentanol 130.19
    sec-butanol 145.22
    n-hexane 59.35
    ethylene glycol 56.58
    NMP 511.05
    cyclohexane 91.55
    DMSO 389.99
    n-butyl acetate 239.13
    n-octanol 166.53
    chloroform 608.58
    n-propyl acetate 152.57
    acetic acid 167.89
    dichloromethane 408.34
    cyclohexanone 490.28
    propylene glycol 110.66
    isopropyl acetate 149.03
    DMAc 337.02
    2-ethoxyethanol 135.33
    isopentanol 147.88
    n-heptane 76.24
    ethyl formate 107.73
    1,2-dichloroethane 288.85
    n-hexanol 284.24
    2-methoxyethanol 189.47
    isobutyl acetate 154.78
    tetrachloromethane 129.74
    n-pentyl acetate 157.06
    transcutol 405.82
    n-heptanol 146.75
    ethylbenzene 111.35
    MIBK 193.99
    2-propoxyethanol 310.97
    tert-butanol 214.08
    MTBE 217.41
    2-butoxyethanol 187.54
    propionic acid 175.32
    o-xylene 140.54
    formic acid 34.88
    diethyl ether 150.74
    m-xylene 160.58
    p-xylene 152.48
    chlorobenzene 269.73
    dimethyl carbonate 107.74
    n-octane 33.31
    formamide 37.79
    cyclopentanone 596.65
    2-pentanone 250.56
    anisole 196.52
    cyclopentyl methyl ether 335.81
    gamma-butyrolactone 477.89
    1-methoxy-2-propanol 217.67
    pyridine 285.13
    3-pentanone 209.11
    furfural 405.93
    n-dodecane 31.89
    diethylene glycol 216.91
    diisopropyl ether 94.49
    tert-amyl alcohol 194.62
    acetylacetone 274.12
    n-hexadecane 36.5
    acetophenone 208.56
    methyl propionate 182.01
    isopentyl acetate 240.23
    trichloroethylene 584.93
    n-nonanol 142.59
    cyclohexanol 240.19
    benzyl alcohol 167.83
    2-ethylhexanol 196.76
    isooctanol 131.28
    dipropyl ether 188.39
    1,2-dichlorobenzene 262.9
    ethyl lactate 124.12
    propylene carbonate 324.85
    n-methylformamide 110.72
    2-pentanol 130.09
    n-pentane 51.77
    1-propoxy-2-propanol 272.84
    1-methoxy-2-propyl acetate 251.01
    2-(2-methoxypropoxy) propanol 218.01
    mesitylene 115.92
    ε-caprolactone 366.35
    p-cymene 118.26
    epichlorohydrin 412.59
    1,1,1-trichloroethane 402.72
    2-aminoethanol 90.31
    morpholine-4-carbaldehyde 392.06
    sulfolane 779.96
    2,2,4-trimethylpentane 43.55
    2-methyltetrahydrofuran 417.11
    n-hexyl acetate 258.4
    isooctane 36.33
    2-(2-butoxyethoxy)ethanol 261.91
    sec-butyl acetate 131.76
    tert-butyl acetate 208.05
    decalin 63.31
    glycerin 140.45
    diglyme 362.7
    acrylic acid 169.01
    isopropyl myristate 129.04
    n-butyric acid 215.27
    acetyl acetate 141.09
    di(2-ethylhexyl) phthalate 138.6
    ethyl propionate 138.04
    nitromethane 210.33
    1,2-diethoxyethane 166.83
    benzonitrile 222.31
    trioctyl phosphate 108.56
    1-bromopropane 222.6
    gamma-valerolactone 497.82
    n-decanol 118.76
    triethyl phosphate 107.65
    4-methyl-2-pentanol 112.2
    propionitrile 143.97
    vinylene carbonate 272.14
    1,1,2-trichlorotrifluoroethane 354.02
    DMS 191.35
    cumene 98.38
    2-octanol 120.83
    2-hexanone 215.62
    octyl acetate 164.47
    limonene 182.75
    1,2-dimethoxyethane 241.17
    ethyl orthosilicate 105.05
    tributyl phosphate 118.65
    diacetone alcohol 247.08
    N,N-dimethylaniline 158.77
    acrylonitrile 162.42
    aniline 185.43
    1,3-propanediol 107.18
    bromobenzene 299.54
    dibromomethane 334.6
    1,1,2,2-tetrachloroethane 523.98
    2-methyl-cyclohexyl acetate 201.98
    tetrabutyl urea 157.77
    diisobutyl methanol 126.18
    2-phenylethanol 220.86
    styrene 131.31
    dioctyl adipate 168.74
    dimethyl sulfate 210.0
    ethyl butyrate 160.99
    methyl lactate 148.27
    butyl lactate 161.48
    diethyl carbonate 115.64
    propanediol butyl ether 229.03
    triethyl orthoformate 136.71
    p-tert-butyltoluene 125.9
    methyl 4-tert-butylbenzoate 224.13
    morpholine 293.46
    tert-butylamine 151.91
    n-dodecanol 100.89
    dimethoxymethane 202.84
    ethylene carbonate 208.74
    cyrene 249.53
    2-ethoxyethyl acetate 174.4
    2-ethylhexyl acetate 201.79
    1,2,4-trichlorobenzene 347.4
    4-methylpyridine 299.97
    dibutyl ether 154.16
    2,6-dimethyl-4-heptanol 126.18
    DEF 219.8
    dimethyl isosorbide 353.72
    tetrachloroethylene 312.36
    eugenol 221.17
    triacetin 242.65
    span 80 243.86
    1,4-butanediol 80.07
    1,1-dichloroethane 341.09
    2-methyl-1-pentanol 137.06
    methyl formate 112.85
    2-methyl-1-butanol 145.34
    n-decane 48.09
    butyronitrile 158.03
    3,7-dimethyl-1-octanol 164.64
    1-chlorooctane 145.33
    1-chlorotetradecane 72.95
    n-nonane 49.34
    undecane 37.82
    tert-butylcyclohexane 62.39
    cyclooctane 45.18
    cyclopentanol 259.77
    tetrahydropyran 330.0
    tert-amyl methyl ether 184.1
    2,5,8-trioxanonane 293.65
    1-hexene 135.39
    2-isopropoxyethanol 138.04
    2,2,2-trifluoroethanol 76.33
    methyl butyrate 176.73

    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