4,5-Diethyl-2-methyl-1,3-thiazole

  • Identifiers

    Molecular formula
    C8H13NS

    SMILES
    CCC1=C(SC(=N1)C)CC

  • Odor profile

    Fragrance
    Green 82.67%
    Nutty 74.79%
    Roasted 64.84%
    Vegetable 59.04%
    Earthy 58.18%
    Meaty 55.26%
    Cocoa 45.43%
    Burnt 41.0%
    Musty 39.64%
    Potato 39.02%

     

    Flavor
    Green 70.57%
    Nutty 67.12%
    Earthy 55.1%
    Vegetable 50.39%
    Roasted 50.02%
    Meaty 44.15%
    Potato 38.68%
    Hazelnut 36.06%
    Raw 35.57%
    Burnt 32.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.39 (neutral)

    Molecular weight
    155.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    192°C

    Flash point

    • 60.97 ˚C est.

  • Synonyms

    • SCHEMBL12827565
  • Applications

    4,5-Diethyl-2-methyl-1,3-thiazole is primarily regarded as an intermediate and building block for the synthesis of heterocyclic compounds, used in pharmaceutical and agrochemical manufacturing; it may act as an odorant component in perfumery and fragrance applications; it also serves as a potential building block for dyes, pigments, and inks, as well as for polymer and specialty material formulations; in research and development, it is often evaluated as a versatile unit for organic electronics and organic semiconductors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 463.33
    methanol 650.02
    isopropanol 375.33
    water 2.51
    ethyl acetate 763.46
    n-propanol 456.98
    acetone 1055.13
    n-butanol 478.99
    acetonitrile 631.86
    DMF 1542.9
    toluene 784.45
    isobutanol 377.27
    1,4-dioxane 1562.59
    methyl acetate 710.64
    THF 2035.95
    2-butanone 858.63
    n-pentanol 383.16
    sec-butanol 411.06
    n-hexane 232.15
    ethylene glycol 147.74
    NMP 1827.9
    cyclohexane 339.59
    DMSO 1225.13
    n-butyl acetate 814.94
    n-octanol 396.39
    chloroform 2544.93
    n-propyl acetate 583.38
    acetic acid 427.24
    dichloromethane 2381.29
    cyclohexanone 1691.09
    propylene glycol 175.11
    isopropyl acetate 566.03
    DMAc 1172.19
    2-ethoxyethanol 576.57
    isopentanol 441.27
    n-heptane 187.12
    ethyl formate 511.4
    1,2-dichloroethane 1442.64
    n-hexanol 590.29
    2-methoxyethanol 843.26
    isobutyl acetate 490.05
    tetrachloromethane 735.51
    n-pentyl acetate 683.92
    transcutol 1166.91
    n-heptanol 359.34
    ethylbenzene 446.38
    MIBK 595.26
    2-propoxyethanol 948.27
    tert-butanol 482.12
    MTBE 744.4
    2-butoxyethanol 568.38
    propionic acid 382.65
    o-xylene 508.24
    formic acid 127.86
    diethyl ether 863.58
    m-xylene 610.35
    p-xylene 604.65
    chlorobenzene 1148.78
    dimethyl carbonate 455.24
    n-octane 111.59
    formamide 196.05
    cyclopentanone 1865.61
    2-pentanone 836.9
    anisole 819.91
    cyclopentyl methyl ether 1231.48
    gamma-butyrolactone 1788.09
    1-methoxy-2-propanol 668.54
    pyridine 1253.82
    3-pentanone 742.46
    furfural 1603.6
    n-dodecane 87.31
    diethylene glycol 582.67
    diisopropyl ether 387.15
    tert-amyl alcohol 477.84
    acetylacetone 1019.27
    n-hexadecane 101.84
    acetophenone 732.75
    methyl propionate 682.33
    isopentyl acetate 749.26
    trichloroethylene 2528.8
    n-nonanol 340.76
    cyclohexanol 618.48
    benzyl alcohol 538.55
    2-ethylhexanol 447.1
    isooctanol 315.39
    dipropyl ether 611.05
    1,2-dichlorobenzene 1078.51
    ethyl lactate 288.04
    propylene carbonate 963.22
    n-methylformamide 565.33
    2-pentanol 368.33
    n-pentane 178.96
    1-propoxy-2-propanol 620.32
    1-methoxy-2-propyl acetate 735.74
    2-(2-methoxypropoxy) propanol 469.66
    mesitylene 472.13
    ε-caprolactone 1307.31
    p-cymene 351.8
    epichlorohydrin 1734.72
    1,1,1-trichloroethane 1579.8
    2-aminoethanol 230.91
    morpholine-4-carbaldehyde 1641.48
    sulfolane 2107.96
    2,2,4-trimethylpentane 123.8
    2-methyltetrahydrofuran 1491.33
    n-hexyl acetate 891.62
    isooctane 114.41
    2-(2-butoxyethoxy)ethanol 586.28
    sec-butyl acetate 442.92
    tert-butyl acetate 691.73
    decalin 222.67
    glycerin 276.45
    diglyme 1140.59
    acrylic acid 381.33
    isopropyl myristate 380.35
    n-butyric acid 602.43
    acetyl acetate 567.82
    di(2-ethylhexyl) phthalate 340.23
    ethyl propionate 527.38
    nitromethane 904.64
    1,2-diethoxyethane 745.73
    benzonitrile 878.85
    trioctyl phosphate 263.41
    1-bromopropane 950.37
    gamma-valerolactone 1985.65
    n-decanol 251.2
    triethyl phosphate 331.71
    4-methyl-2-pentanol 273.57
    propionitrile 633.03
    vinylene carbonate 936.5
    1,1,2-trichlorotrifluoroethane 959.49
    DMS 720.44
    cumene 352.85
    2-octanol 326.21
    2-hexanone 653.13
    octyl acetate 446.08
    limonene 527.83
    1,2-dimethoxyethane 1193.99
    ethyl orthosilicate 324.36
    tributyl phosphate 320.15
    diacetone alcohol 565.02
    N,N-dimethylaniline 610.04
    acrylonitrile 737.4
    aniline 648.39
    1,3-propanediol 365.48
    bromobenzene 1336.16
    dibromomethane 1604.18
    1,1,2,2-tetrachloroethane 2003.12
    2-methyl-cyclohexyl acetate 565.45
    tetrabutyl urea 415.11
    diisobutyl methanol 271.75
    2-phenylethanol 628.49
    styrene 567.56
    dioctyl adipate 453.57
    dimethyl sulfate 750.29
    ethyl butyrate 563.52
    methyl lactate 350.48
    butyl lactate 417.91
    diethyl carbonate 387.93
    propanediol butyl ether 427.22
    triethyl orthoformate 424.07
    p-tert-butyltoluene 366.46
    methyl 4-tert-butylbenzoate 643.97
    morpholine 1354.96
    tert-butylamine 364.93
    n-dodecanol 203.45
    dimethoxymethane 1113.97
    ethylene carbonate 809.31
    cyrene 581.99
    2-ethoxyethyl acetate 756.94
    2-ethylhexyl acetate 709.35
    1,2,4-trichlorobenzene 1239.01
    4-methylpyridine 1407.14
    dibutyl ether 563.97
    2,6-dimethyl-4-heptanol 271.75
    DEF 957.31
    dimethyl isosorbide 983.23
    tetrachloroethylene 1452.0
    eugenol 609.26
    triacetin 639.96
    span 80 480.39
    1,4-butanediol 199.76
    1,1-dichloroethane 1299.89
    2-methyl-1-pentanol 399.05
    methyl formate 570.87
    2-methyl-1-butanol 446.91
    n-decane 139.24
    butyronitrile 700.11
    3,7-dimethyl-1-octanol 372.68
    1-chlorooctane 449.61
    1-chlorotetradecane 192.97
    n-nonane 151.62
    undecane 104.94
    tert-butylcyclohexane 207.81
    cyclooctane 177.73
    cyclopentanol 660.12
    tetrahydropyran 1375.12
    tert-amyl methyl ether 661.03
    2,5,8-trioxanonane 761.05
    1-hexene 486.58
    2-isopropoxyethanol 449.95
    2,2,2-trifluoroethanol 226.95
    methyl butyrate 672.98

    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