2-Isopropyl-4-methylthiazole

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  • Identifiers

    CAS number
    15679-13-7

    Molecular formula
    C7H11NS

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 88.33%
    Vegetable 67.56%
    Fruity 62.14%
    Nutty 60.41%
    Sulfurous 58.13%
    Tropical 56.25%
    Meaty 53.62%
    Earthy 52.08%
    Roasted 48.65%
    Tomato 38.92%

     

    Flavor
    Green 88.22%
    Earthy 59.04%
    Vegetable 52.25%
    Pepper 41.17%
    Nutty 40.69%
    Tropical 37.94%
    Raw 37.84%
    Tomato 35.8%
    Earth 35.07%
    Roasted 31.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.07 (neutral)

    Molecular weight
    141.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 57.75 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 2-Isopropyl-4-methylthiazole
    • 15679-13-7
    • 2-isopropyl-4-methyl thiazole
    • Thiazole, 4-methyl-2-(1-methylethyl)-
    • 4-Methyl-2-(1-methylethyl)thiazole
    • tropical thiazole
    • Thiazole, 2-isopropyl-4-methyl-
    • FEMA No. 3555
    • 4-methyl-2-propan-2-yl-1,3-thiazole
    • 2-Isopropyl-4-methyl-1,3-thiazole
    • peach thiazole
    • NQF7JO3MUP
    • EINECS 239-758-4
    • 4-methyl-2-(1-methylethyl)-thiazole
    • 4-methyl-2-(propan-2-yl)-1,3-thiazole
    • FEMA 3555
    • isopropyl methyl thiazole
    • MFCD00036561
    • 4-Methyl-2-isopropylthiazole
    • DTXSID0047664
    • Thiazole, 4-methyl-2-isopropyl
    • CHEBI:133679
    • 2-ISOPROPYL-4-METHYLTHIAZOLE [FHFI]
    • UNII-NQF7JO3MUP
    • 4-Methyl-2-isopropylthiazol
    • SCHEMBL128817
    • 2-isopropyl-4-methyl-thiazole
    • DTXCID8027664
    • AKOS006220724
    • CS-W016434
    • AC-10802
    • SY048499
    • 4-Methyl-2-(1-methylethyl)thiazole, 9CI
    • DB-021249
    • DB-195794
    • 2-Isopropyl-4-methylthiazole, >=98%, FG
    • I0423
    • NS00020480
    • D91146
    • EN300-174598
    • Q27284996
    • InChI=1/C7H11NS/c1-5(2)7-8-6(3)4-9-7/h4-5H,1-3H
    • 239-758-4

  • Applications

    2-Isopropyl-4-methylthiazole (CAS 15679-13-7) is a thiazole derivative with an extremely low odor threshold that is prized by the flavor and fragrance industry for its characteristic roasted, nutty, coffee-like and grilled-meat nuances; it is routinely incorporated into instant coffee, cocoa, chocolate, biscuits, potato snacks, dry seasonings, sauces, gravies, instant soups and meat products to boost sensory depth, also features in aroma compositions for energy drinks, alcohol-free beer, tobacco essences and masculine perfumes to impart warm smoky tones, while serving as an analytical reference standard in sensory research and as a selective building block in pharmaceutical and agrochemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 157.98
    methanol 204.79
    isopropanol 146.21
    water 1.01
    ethyl acetate 245.18
    n-propanol 158.24
    acetone 405.12
    n-butanol 177.13
    acetonitrile 162.35
    DMF 587.16
    toluene 254.26
    isobutanol 148.98
    1,4-dioxane 518.14
    methyl acetate 269.2
    THF 765.34
    2-butanone 363.77
    n-pentanol 148.84
    sec-butanol 161.75
    n-hexane 73.04
    ethylene glycol 56.09
    NMP 739.01
    cyclohexane 85.13
    DMSO 457.66
    n-butyl acetate 298.05
    n-octanol 171.34
    chloroform 790.58
    n-propyl acetate 195.82
    acetic acid 137.23
    dichloromethane 677.81
    cyclohexanone 602.25
    propylene glycol 79.93
    isopropyl acetate 204.18
    DMAc 590.15
    2-ethoxyethanol 203.81
    isopentanol 175.01
    n-heptane 65.08
    ethyl formate 162.72
    1,2-dichloroethane 428.45
    n-hexanol 240.71
    2-methoxyethanol 300.57
    isobutyl acetate 191.32
    tetrachloromethane 213.07
    n-pentyl acetate 246.64
    transcutol 487.11
    n-heptanol 149.57
    ethylbenzene 159.48
    MIBK 250.28
    2-propoxyethanol 362.47
    tert-butanol 199.23
    MTBE 288.5
    2-butoxyethanol 233.82
    propionic acid 148.72
    o-xylene 195.11
    formic acid 36.86
    diethyl ether 253.8
    m-xylene 217.07
    p-xylene 221.3
    chlorobenzene 363.76
    dimethyl carbonate 150.39
    n-octane 39.53
    formamide 49.6
    cyclopentanone 728.1
    2-pentanone 324.8
    anisole 287.07
    cyclopentyl methyl ether 407.06
    gamma-butyrolactone 642.72
    1-methoxy-2-propanol 278.99
    pyridine 366.84
    3-pentanone 281.35
    furfural 582.33
    n-dodecane 35.66
    diethylene glycol 241.5
    diisopropyl ether 129.2
    tert-amyl alcohol 201.23
    acetylacetone 402.21
    n-hexadecane 40.58
    acetophenone 287.59
    methyl propionate 247.32
    isopentyl acetate 299.52
    trichloroethylene 778.2
    n-nonanol 146.72
    cyclohexanol 216.97
    benzyl alcohol 201.18
    2-ethylhexanol 185.93
    isooctanol 130.57
    dipropyl ether 218.65
    1,2-dichlorobenzene 370.35
    ethyl lactate 124.83
    propylene carbonate 375.06
    n-methylformamide 164.48
    2-pentanol 144.3
    n-pentane 56.01
    1-propoxy-2-propanol 271.81
    1-methoxy-2-propyl acetate 312.16
    2-(2-methoxypropoxy) propanol 228.04
    mesitylene 165.8
    ε-caprolactone 462.9
    p-cymene 145.28
    epichlorohydrin 589.92
    1,1,1-trichloroethane 530.2
    2-aminoethanol 86.79
    morpholine-4-carbaldehyde 626.54
    sulfolane 873.35
    2,2,4-trimethylpentane 48.92
    2-methyltetrahydrofuran 540.35
    n-hexyl acetate 351.84
    isooctane 41.6
    2-(2-butoxyethoxy)ethanol 272.52
    sec-butyl acetate 170.33
    tert-butyl acetate 273.78
    decalin 75.4
    glycerin 126.16
    diglyme 460.14
    acrylic acid 140.11
    isopropyl myristate 164.64
    n-butyric acid 201.71
    acetyl acetate 195.79
    di(2-ethylhexyl) phthalate 158.02
    ethyl propionate 184.37
    nitromethane 249.37
    1,2-diethoxyethane 283.82
    benzonitrile 311.71
    trioctyl phosphate 119.13
    1-bromopropane 285.42
    gamma-valerolactone 704.86
    n-decanol 114.41
    triethyl phosphate 137.32
    4-methyl-2-pentanol 114.88
    propionitrile 187.51
    vinylene carbonate 340.58
    1,1,2-trichlorotrifluoroethane 379.5
    DMS 285.27
    cumene 139.27
    2-octanol 129.71
    2-hexanone 265.87
    octyl acetate 194.21
    limonene 208.19
    1,2-dimethoxyethane 410.78
    ethyl orthosilicate 130.08
    tributyl phosphate 139.68
    diacetone alcohol 271.37
    N,N-dimethylaniline 234.17
    acrylonitrile 215.37
    aniline 229.98
    1,3-propanediol 138.58
    bromobenzene 424.99
    dibromomethane 482.99
    1,1,2,2-tetrachloroethane 657.96
    2-methyl-cyclohexyl acetate 229.06
    tetrabutyl urea 188.21
    diisobutyl methanol 120.06
    2-phenylethanol 252.43
    styrene 196.75
    dioctyl adipate 195.22
    dimethyl sulfate 289.79
    ethyl butyrate 207.38
    methyl lactate 151.73
    butyl lactate 181.73
    diethyl carbonate 148.08
    propanediol butyl ether 208.2
    triethyl orthoformate 161.31
    p-tert-butyltoluene 154.91
    methyl 4-tert-butylbenzoate 277.79
    morpholine 434.28
    tert-butylamine 143.76
    n-dodecanol 95.13
    dimethoxymethane 354.58
    ethylene carbonate 268.8
    cyrene 281.88
    2-ethoxyethyl acetate 288.77
    2-ethylhexyl acetate 269.68
    1,2,4-trichlorobenzene 452.24
    4-methylpyridine 462.58
    dibutyl ether 212.52
    2,6-dimethyl-4-heptanol 120.06
    DEF 355.7
    dimethyl isosorbide 431.46
    tetrachloroethylene 442.35
    eugenol 255.78
    triacetin 275.2
    span 80 232.46
    1,4-butanediol 79.55
    1,1-dichloroethane 445.28
    2-methyl-1-pentanol 162.42
    methyl formate 165.8
    2-methyl-1-butanol 168.87
    n-decane 52.63
    butyronitrile 206.69
    3,7-dimethyl-1-octanol 165.44
    1-chlorooctane 172.59
    1-chlorotetradecane 81.8
    n-nonane 54.81
    undecane 41.76
    tert-butylcyclohexane 78.26
    cyclooctane 47.36
    cyclopentanol 247.82
    tetrahydropyran 411.88
    tert-amyl methyl ether 255.64
    2,5,8-trioxanonane 334.58
    1-hexene 166.86
    2-isopropoxyethanol 179.21
    2,2,2-trifluoroethanol 78.22
    methyl butyrate 243.63

    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