2-Methyl-4-(2-methylpropyl)-1,3-thiazole

  • Identifiers

    Molecular formula
    C8H13NS

    SMILES
    CC1=NC(=CS1)CC(C)C

  • Odor profile

    Fragrance
    Green 92.86%
    Vegetable 70.07%
    Fruity 60.86%
    Tropical 52.88%
    Nutty 49.98%
    Earthy 45.72%
    Leafy 40.5%
    Tomato 38.49%
    Meaty 36.72%
    Roasted 35.88%

     

    Flavor
    Green 70.07%
    Earthy 48.54%
    Roasted 44.8%
    Vegetable 41.78%
    Burnt 33.82%
    Pepper 33.82%
    Earth 33.02%
    Nutty 28.39%
    Pea 28.18%
    Tomato 27.97%

     

    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.
    201°C

    Flash point

    • 68.8 ˚C est.

  • Synonyms

    • SCHEMBL8250998
  • Applications

    2-Methyl-4-(2-methylpropyl)-1,3-thiazole is mainly used as a synthetic building block in organic synthesis and is commonly evaluated for fragrance chemistry as an odorant or fragrance intermediate; it may also serve as a specialized odor component in cosmetics/personal care formulations and in household products; in polymers and plastics it can act as a reactive intermediate or precursor for specialty monomers; and it is employed as a synthetic intermediate in pharmaceutical or agrochemical research contexts, with use limited by regulatory requirements and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 111.02
    methanol 97.2
    isopropanol 121.48
    water 0.57
    ethyl acetate 166.3
    n-propanol 121.84
    acetone 253.41
    n-butanol 135.37
    acetonitrile 131.35
    DMF 296.23
    toluene 235.57
    isobutanol 128.57
    1,4-dioxane 399.94
    methyl acetate 166.97
    THF 668.99
    2-butanone 199.8
    n-pentanol 122.74
    sec-butanol 135.79
    n-hexane 73.27
    ethylene glycol 33.19
    NMP 407.79
    cyclohexane 176.22
    DMSO 249.77
    n-butyl acetate 240.34
    n-octanol 179.56
    chloroform 681.78
    n-propyl acetate 130.2
    acetic acid 144.56
    dichloromethane 447.97
    cyclohexanone 458.87
    propylene glycol 79.05
    isopropyl acetate 127.68
    DMAc 270.19
    2-ethoxyethanol 106.06
    isopentanol 133.43
    n-heptane 109.07
    ethyl formate 109.47
    1,2-dichloroethane 239.53
    n-hexanol 293.99
    2-methoxyethanol 151.43
    isobutyl acetate 125.42
    tetrachloromethane 149.18
    n-pentyl acetate 155.15
    transcutol 373.57
    n-heptanol 136.52
    ethylbenzene 124.68
    MIBK 144.29
    2-propoxyethanol 275.63
    tert-butanol 181.76
    MTBE 178.13
    2-butoxyethanol 152.23
    propionic acid 132.64
    o-xylene 157.63
    formic acid 23.49
    diethyl ether 151.09
    m-xylene 158.49
    p-xylene 182.29
    chlorobenzene 264.61
    dimethyl carbonate 85.94
    n-octane 42.34
    formamide 30.8
    cyclopentanone 503.85
    2-pentanone 186.27
    anisole 185.8
    cyclopentyl methyl ether 332.48
    gamma-butyrolactone 411.38
    1-methoxy-2-propanol 174.19
    pyridine 331.86
    3-pentanone 161.19
    furfural 358.68
    n-dodecane 44.06
    diethylene glycol 159.24
    diisopropyl ether 83.61
    tert-amyl alcohol 152.84
    acetylacetone 213.97
    n-hexadecane 50.52
    acetophenone 188.91
    methyl propionate 151.23
    isopentyl acetate 223.53
    trichloroethylene 493.38
    n-nonanol 156.76
    cyclohexanol 249.12
    benzyl alcohol 159.87
    2-ethylhexanol 200.58
    isooctanol 115.6
    dipropyl ether 199.08
    1,2-dichlorobenzene 226.63
    ethyl lactate 94.49
    propylene carbonate 300.65
    n-methylformamide 88.78
    2-pentanol 115.32
    n-pentane 64.59
    1-propoxy-2-propanol 238.65
    1-methoxy-2-propyl acetate 228.62
    2-(2-methoxypropoxy) propanol 199.52
    mesitylene 112.89
    ε-caprolactone 335.93
    p-cymene 127.01
    epichlorohydrin 349.96
    1,1,1-trichloroethane 345.21
    2-aminoethanol 66.15
    morpholine-4-carbaldehyde 350.69
    sulfolane 513.82
    2,2,4-trimethylpentane 40.91
    2-methyltetrahydrofuran 440.47
    n-hexyl acetate 261.83
    isooctane 29.82
    2-(2-butoxyethoxy)ethanol 235.11
    sec-butyl acetate 105.28
    tert-butyl acetate 157.16
    decalin 72.09
    glycerin 93.25
    diglyme 322.16
    acrylic acid 119.09
    isopropyl myristate 137.86
    n-butyric acid 180.59
    acetyl acetate 135.98
    di(2-ethylhexyl) phthalate 143.57
    ethyl propionate 114.56
    nitromethane 169.53
    1,2-diethoxyethane 180.87
    benzonitrile 234.57
    trioctyl phosphate 106.66
    1-bromopropane 200.53
    gamma-valerolactone 429.95
    n-decanol 131.41
    triethyl phosphate 103.9
    4-methyl-2-pentanol 88.73
    propionitrile 130.77
    vinylene carbonate 251.59
    1,1,2-trichlorotrifluoroethane 268.82
    DMS 183.34
    cumene 97.52
    2-octanol 119.34
    2-hexanone 176.84
    octyl acetate 172.41
    limonene 201.07
    1,2-dimethoxyethane 226.93
    ethyl orthosilicate 101.88
    tributyl phosphate 120.65
    diacetone alcohol 181.18
    N,N-dimethylaniline 151.03
    acrylonitrile 136.31
    aniline 196.75
    1,3-propanediol 92.63
    bromobenzene 307.22
    dibromomethane 348.91
    1,1,2,2-tetrachloroethane 448.96
    2-methyl-cyclohexyl acetate 205.2
    tetrabutyl urea 158.02
    diisobutyl methanol 111.57
    2-phenylethanol 210.66
    styrene 146.97
    dioctyl adipate 172.97
    dimethyl sulfate 131.95
    ethyl butyrate 155.64
    methyl lactate 103.33
    butyl lactate 143.84
    diethyl carbonate 119.87
    propanediol butyl ether 197.4
    triethyl orthoformate 138.0
    p-tert-butyltoluene 128.09
    methyl 4-tert-butylbenzoate 196.01
    morpholine 372.37
    tert-butylamine 143.15
    n-dodecanol 114.18
    dimethoxymethane 180.7
    ethylene carbonate 210.54
    cyrene 213.18
    2-ethoxyethyl acetate 173.82
    2-ethylhexyl acetate 202.96
    1,2,4-trichlorobenzene 285.7
    4-methylpyridine 346.09
    dibutyl ether 184.7
    2,6-dimethyl-4-heptanol 111.57
    DEF 180.08
    dimethyl isosorbide 341.96
    tetrachloroethylene 278.73
    eugenol 186.31
    triacetin 220.81
    span 80 252.26
    1,4-butanediol 61.22
    1,1-dichloroethane 279.3
    2-methyl-1-pentanol 127.88
    methyl formate 85.33
    2-methyl-1-butanol 132.52
    n-decane 65.74
    butyronitrile 160.5
    3,7-dimethyl-1-octanol 165.75
    1-chlorooctane 152.72
    1-chlorotetradecane 83.62
    n-nonane 66.92
    undecane 51.67
    tert-butylcyclohexane 61.86
    cyclooctane 70.51
    cyclopentanol 270.24
    tetrahydropyran 436.23
    tert-amyl methyl ether 151.73
    2,5,8-trioxanonane 282.88
    1-hexene 142.48
    2-isopropoxyethanol 108.34
    2,2,2-trifluoroethanol 61.69
    methyl butyrate 148.37

    Scent© AI

1 of 4
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