2-Isopropyl-4,5-dimethylthiazole

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  • Identifiers

    CAS number
    53498-30-9

    Molecular formula
    C8H13NS

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 73.15%
    Roasted 67.52%
    Green 62.92%
    Earthy 60.53%
    Meaty 53.95%
    Vegetable 52.82%
    Burnt 47.92%
    Coffee 45.41%
    Cocoa 44.8%
    Potato 41.35%

     

    Flavor
    Green 73.39%
    Earthy 59.58%
    Vegetable 46.84%
    Nutty 45.37%
    Earth 40.96%
    Roasted 39.58%
    Pepper 36.28%
    Hazelnut 35.58%
    Burnt 34.62%
    Raw 34.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.78 (neutral)

    Molecular weight
    155.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 63.78 ˚C est.

  • Synonyms

    • 53498-30-9
    • 2-ISOPROPYL-4,5-DIMETHYLTHIAZOLE
    • 4,5-Dimethyl-2-isopropyl thiazole
    • 4,5-DIMETHYL-2-ISOPROPYLTHIAZOLE
    • 2-Isopropyl-4,5-dimethyl-1,3-thiazole
    • UNII-WYM46TUJ40
    • 4.5-Dimethyl-2-isopropyl thiazole
    • 4,5-dimethyl-2-propan-2-yl-1,3-thiazole
    • WYM46TUJ40
    • 4,5-dimethyl-2-(propan-2-yl)-1,3-thiazole
    • 4,5-Dimethyl-2-(1-methylethyl)thiazole
    • Thiazole, 4,5-dimethyl-2-(1-methylethyl)-
    • DTXSID90201701
    • 2-iso-Propyl-4,5-dimethylthiazole
    • 4,5-Dimethyl-2-isopropyl-thiazole
    • Thiazole, 4,5-dimethyl-2-isopropyl
    • 4,5-Dimethyl-2-(1-methylethyl)thiazole, 9CI
    • SCHEMBL2600726
    • DTXCID80124192
    • 2-isopropyl-4,5-dimethyl thiazole
    • AKOS006271818
    • FS-1216
    • 2-Isopropyl-4,5-dimethyl-1,3-thiazole #
    • DB-052344
    • CS-0331847
    • NS00113886
    • Q27293046

  • Applications

    2-Isopropyl-4,5-dimethylthiazole (CAS 53498-30-9) is used as an odorant in perfumery and cosmetics, contributing distinctive notes to fragrance formulations; it may also be evaluated as a flavor/aroma component in food-related applications. In household products, it can serve as a fragrance ingredient to impart characteristic scents. In industrial manufacturing, the compound functions as a chemical intermediate or building block for synthesis across multiple sectors. In coatings and inks, it is employed as a fragrance additive or precursor for formulation. Additionally, it may act as an intermediate in pharmaceutical and agrochemical research, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 298.01
    methanol 293.08
    isopropanol 330.61
    water 1.65
    ethyl acetate 533.72
    n-propanol 340.96
    acetone 854.73
    n-butanol 353.37
    acetonitrile 351.31
    DMF 1157.59
    toluene 567.54
    isobutanol 315.69
    1,4-dioxane 1110.26
    methyl acetate 634.87
    THF 1439.75
    2-butanone 792.31
    n-pentanol 281.81
    sec-butanol 363.84
    n-hexane 129.41
    ethylene glycol 86.34
    NMP 1173.4
    cyclohexane 152.99
    DMSO 675.44
    n-butyl acetate 594.03
    n-octanol 334.83
    chloroform 1744.87
    n-propyl acetate 441.57
    acetic acid 220.25
    dichloromethane 1444.15
    cyclohexanone 1170.72
    propylene glycol 149.9
    isopropyl acetate 449.89
    DMAc 1093.69
    2-ethoxyethanol 416.85
    isopentanol 342.69
    n-heptane 102.48
    ethyl formate 366.85
    1,2-dichloroethane 913.74
    n-hexanol 424.39
    2-methoxyethanol 582.4
    isobutyl acetate 399.2
    tetrachloromethane 493.18
    n-pentyl acetate 507.77
    transcutol 794.26
    n-heptanol 290.94
    ethylbenzene 383.45
    MIBK 494.62
    2-propoxyethanol 665.24
    tert-butanol 439.94
    MTBE 689.68
    2-butoxyethanol 448.53
    propionic acid 272.8
    o-xylene 441.51
    formic acid 58.57
    diethyl ether 546.24
    m-xylene 452.38
    p-xylene 575.48
    chlorobenzene 769.13
    dimethyl carbonate 310.52
    n-octane 76.81
    formamide 100.38
    cyclopentanone 1376.95
    2-pentanone 670.02
    anisole 670.22
    cyclopentyl methyl ether 785.55
    gamma-butyrolactone 1176.6
    1-methoxy-2-propanol 541.48
    pyridine 792.57
    3-pentanone 565.45
    furfural 1162.51
    n-dodecane 68.12
    diethylene glycol 384.03
    diisopropyl ether 270.24
    tert-amyl alcohol 431.76
    acetylacetone 801.45
    n-hexadecane 78.76
    acetophenone 644.06
    methyl propionate 497.67
    isopentyl acetate 606.56
    trichloroethylene 1664.72
    n-nonanol 294.38
    cyclohexanol 435.68
    benzyl alcohol 456.09
    2-ethylhexanol 327.39
    isooctanol 258.07
    dipropyl ether 386.43
    1,2-dichlorobenzene 767.14
    ethyl lactate 243.44
    propylene carbonate 751.64
    n-methylformamide 349.38
    2-pentanol 307.53
    n-pentane 103.44
    1-propoxy-2-propanol 494.55
    1-methoxy-2-propyl acetate 581.36
    2-(2-methoxypropoxy) propanol 410.22
    mesitylene 337.94
    ε-caprolactone 889.37
    p-cymene 276.62
    epichlorohydrin 1233.96
    1,1,1-trichloroethane 1194.56
    2-aminoethanol 155.0
    morpholine-4-carbaldehyde 1208.72
    sulfolane 1299.59
    2,2,4-trimethylpentane 94.09
    2-methyltetrahydrofuran 1027.65
    n-hexyl acetate 684.51
    isooctane 80.34
    2-(2-butoxyethoxy)ethanol 489.37
    sec-butyl acetate 377.71
    tert-butyl acetate 562.08
    decalin 129.92
    glycerin 200.12
    diglyme 897.93
    acrylic acid 244.5
    isopropyl myristate 310.45
    n-butyric acid 398.03
    acetyl acetate 434.33
    di(2-ethylhexyl) phthalate 272.63
    ethyl propionate 395.71
    nitromethane 540.84
    1,2-diethoxyethane 550.82
    benzonitrile 660.64
    trioctyl phosphate 211.68
    1-bromopropane 605.75
    gamma-valerolactone 1475.34
    n-decanol 221.99
    triethyl phosphate 255.23
    4-methyl-2-pentanol 231.24
    propionitrile 386.66
    vinylene carbonate 694.45
    1,1,2-trichlorotrifluoroethane 722.96
    DMS 553.43
    cumene 298.17
    2-octanol 279.76
    2-hexanone 562.47
    octyl acetate 368.18
    limonene 371.5
    1,2-dimethoxyethane 871.27
    ethyl orthosilicate 241.89
    tributyl phosphate 246.55
    diacetone alcohol 515.46
    N,N-dimethylaniline 523.08
    acrylonitrile 459.08
    aniline 496.07
    1,3-propanediol 259.36
    bromobenzene 909.68
    dibromomethane 983.47
    1,1,2,2-tetrachloroethane 1399.6
    2-methyl-cyclohexyl acetate 434.47
    tetrabutyl urea 320.55
    diisobutyl methanol 218.36
    2-phenylethanol 491.23
    styrene 458.86
    dioctyl adipate 362.84
    dimethyl sulfate 517.63
    ethyl butyrate 415.07
    methyl lactate 280.68
    butyl lactate 345.05
    diethyl carbonate 298.89
    propanediol butyl ether 391.79
    triethyl orthoformate 325.05
    p-tert-butyltoluene 294.3
    methyl 4-tert-butylbenzoate 542.91
    morpholine 931.57
    tert-butylamine 327.43
    n-dodecanol 176.49
    dimethoxymethane 757.2
    ethylene carbonate 558.55
    cyrene 489.83
    2-ethoxyethyl acetate 594.77
    2-ethylhexyl acetate 541.06
    1,2,4-trichlorobenzene 921.12
    4-methylpyridine 1056.15
    dibutyl ether 420.09
    2,6-dimethyl-4-heptanol 218.36
    DEF 703.94
    dimethyl isosorbide 760.77
    tetrachloroethylene 945.28
    eugenol 501.46
    triacetin 526.85
    span 80 398.83
    1,4-butanediol 151.07
    1,1-dichloroethane 1024.4
    2-methyl-1-pentanol 307.3
    methyl formate 379.72
    2-methyl-1-butanol 342.38
    n-decane 106.59
    butyronitrile 424.5
    3,7-dimethyl-1-octanol 321.64
    1-chlorooctane 336.85
    1-chlorotetradecane 152.84
    n-nonane 106.48
    undecane 81.91
    tert-butylcyclohexane 147.37
    cyclooctane 87.46
    cyclopentanol 484.52
    tetrahydropyran 856.1
    tert-amyl methyl ether 552.38
    2,5,8-trioxanonane 616.96
    1-hexene 312.46
    2-isopropoxyethanol 372.57
    2,2,2-trifluoroethanol 157.05
    methyl butyrate 540.03

    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