4,5-diethyl-2-propyl-1,3-thiazole

  • Identifiers

    Molecular formula
    C10H17NS

    SMILES
    CCCC1=NC(=C(S1)CC)CC

  • Odor profile

    Fragrance
    Green 88.23%
    Fruity 71.55%
    Vegetable 54.31%
    Nutty 51.75%
    Earthy 44.57%
    Roasted 44.02%
    Tropical 39.95%
    Meaty 36.16%
    Sulfurous 34.66%
    Burnt 28.59%

     

    Flavor
    Green 85.88%
    Earthy 51.1%
    Nutty 50.61%
    Vegetable 46.52%
    Fruity 40.98%
    Pepper 39.93%
    Raw 36.07%
    Roasted 35.77%
    Meaty 34.09%
    Fatty 33.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.74 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 76.43 ˚C est.

  • Applications

    In perfumery and cosmetics, 4,5-diethyl-2-propyl-1,3-thiazole may be used as an odorant and a fragrance fixative. In flavor applications, it may be evaluated as an aroma ingredient. In pharmaceuticals and agrochemicals, it serves as a synthetic intermediate for drug-like and agrochemical compounds. In industrial manufacturing, it functions as a building block for specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1006.5
    methanol 955.69
    isopropanol 955.86
    water 0.45
    ethyl acetate 1821.2
    n-propanol 1081.63
    acetone 2918.91
    n-butanol 1219.12
    acetonitrile 1459.92
    DMF 3772.6
    toluene 2224.67
    isobutanol 1048.01
    1,4-dioxane 3213.98
    methyl acetate 1695.74
    THF 5218.43
    2-butanone 2299.48
    n-pentanol 1008.14
    sec-butanol 1076.62
    n-hexane 654.8
    ethylene glycol 147.35
    NMP 3836.64
    cyclohexane 1236.84
    DMSO 2322.26
    n-butyl acetate 2667.57
    n-octanol 967.8
    chloroform 6787.13
    n-propyl acetate 1545.75
    acetic acid 976.39
    dichloromethane 5925.4
    cyclohexanone 4926.15
    propylene glycol 254.59
    isopropyl acetate 1373.27
    DMAc 2271.79
    2-ethoxyethanol 920.95
    isopentanol 1239.04
    n-heptane 554.97
    ethyl formate 1228.68
    1,2-dichloroethane 3848.94
    n-hexanol 1588.74
    2-methoxyethanol 1354.18
    isobutyl acetate 1279.4
    tetrachloromethane 1590.57
    n-pentyl acetate 1738.43
    transcutol 2112.2
    n-heptanol 811.95
    ethylbenzene 1201.24
    MIBK 1406.39
    2-propoxyethanol 1681.94
    tert-butanol 1137.34
    MTBE 1763.26
    2-butoxyethanol 1012.45
    propionic acid 907.13
    o-xylene 1154.55
    formic acid 164.37
    diethyl ether 2112.92
    m-xylene 1327.96
    p-xylene 1630.47
    chlorobenzene 3250.63
    dimethyl carbonate 866.0
    n-octane 289.87
    formamide 300.3
    cyclopentanone 4624.63
    2-pentanone 2136.84
    anisole 1656.4
    cyclopentyl methyl ether 2622.7
    gamma-butyrolactone 4229.75
    1-methoxy-2-propanol 1116.85
    pyridine 3794.81
    3-pentanone 1744.85
    furfural 3134.02
    n-dodecane 197.36
    diethylene glycol 723.53
    diisopropyl ether 798.05
    tert-amyl alcohol 1149.48
    acetylacetone 2276.73
    n-hexadecane 236.22
    acetophenone 1574.23
    methyl propionate 1469.22
    isopentyl acetate 2217.25
    trichloroethylene 6911.68
    n-nonanol 802.07
    cyclohexanol 1742.49
    benzyl alcohol 1183.78
    2-ethylhexanol 1212.93
    isooctanol 707.25
    dipropyl ether 1528.34
    1,2-dichlorobenzene 2638.04
    ethyl lactate 517.4
    propylene carbonate 2539.7
    n-methylformamide 1154.66
    2-pentanol 942.58
    n-pentane 508.92
    1-propoxy-2-propanol 1327.32
    1-methoxy-2-propyl acetate 1649.26
    2-(2-methoxypropoxy) propanol 878.0
    mesitylene 949.06
    ε-caprolactone 3106.38
    p-cymene 825.45
    epichlorohydrin 4050.6
    1,1,1-trichloroethane 4216.83
    2-aminoethanol 335.78
    morpholine-4-carbaldehyde 2944.75
    sulfolane 4431.56
    2,2,4-trimethylpentane 273.49
    2-methyltetrahydrofuran 3816.34
    n-hexyl acetate 2249.56
    isooctane 232.1
    2-(2-butoxyethoxy)ethanol 1099.06
    sec-butyl acetate 1088.19
    tert-butyl acetate 1478.67
    decalin 529.55
    glycerin 333.73
    diglyme 2080.93
    acrylic acid 773.35
    isopropyl myristate 873.17
    n-butyric acid 1556.7
    acetyl acetate 1291.52
    di(2-ethylhexyl) phthalate 701.4
    ethyl propionate 1252.03
    nitromethane 1802.59
    1,2-diethoxyethane 1843.67
    benzonitrile 2275.65
    trioctyl phosphate 570.92
    1-bromopropane 2744.35
    gamma-valerolactone 4405.8
    n-decanol 575.11
    triethyl phosphate 666.58
    4-methyl-2-pentanol 620.67
    propionitrile 1607.92
    vinylene carbonate 2270.57
    1,1,2-trichlorotrifluoroethane 1871.78
    DMS 1487.85
    cumene 773.97
    2-octanol 782.81
    2-hexanone 1730.54
    octyl acetate 1043.78
    limonene 1288.93
    1,2-dimethoxyethane 2348.6
    ethyl orthosilicate 674.62
    tributyl phosphate 734.11
    diacetone alcohol 1102.66
    N,N-dimethylaniline 1207.99
    acrylonitrile 1731.29
    aniline 1611.11
    1,3-propanediol 617.4
    bromobenzene 3976.19
    dibromomethane 4272.14
    1,1,2,2-tetrachloroethane 5208.02
    2-methyl-cyclohexyl acetate 1380.37
    tetrabutyl urea 983.02
    diisobutyl methanol 647.85
    2-phenylethanol 1376.19
    styrene 1665.87
    dioctyl adipate 1055.31
    dimethyl sulfate 1207.19
    ethyl butyrate 1519.05
    methyl lactate 559.58
    butyl lactate 960.35
    diethyl carbonate 981.6
    propanediol butyl ether 805.55
    triethyl orthoformate 1043.9
    p-tert-butyltoluene 790.78
    methyl 4-tert-butylbenzoate 1217.7
    morpholine 3065.36
    tert-butylamine 911.46
    n-dodecanol 453.28
    dimethoxymethane 2137.15
    ethylene carbonate 2051.17
    cyrene 1001.27
    2-ethoxyethyl acetate 1667.85
    2-ethylhexyl acetate 1974.24
    1,2,4-trichlorobenzene 2713.79
    4-methylpyridine 4201.67
    dibutyl ether 1624.27
    2,6-dimethyl-4-heptanol 647.85
    DEF 2284.12
    dimethyl isosorbide 1858.77
    tetrachloroethylene 3614.76
    eugenol 1176.66
    triacetin 1366.11
    span 80 979.74
    1,4-butanediol 328.46
    1,1-dichloroethane 3722.72
    2-methyl-1-pentanol 1066.55
    methyl formate 1080.98
    2-methyl-1-butanol 1195.67
    n-decane 346.64
    butyronitrile 2094.78
    3,7-dimethyl-1-octanol 866.78
    1-chlorooctane 1106.6
    1-chlorotetradecane 426.23
    n-nonane 379.11
    undecane 246.89
    tert-butylcyclohexane 449.62
    cyclooctane 475.02
    cyclopentanol 1649.67
    tetrahydropyran 3893.02
    tert-amyl methyl ether 1350.21
    2,5,8-trioxanonane 1379.0
    1-hexene 1530.79
    2-isopropoxyethanol 770.84
    2,2,2-trifluoroethanol 350.43
    methyl butyrate 1802.79

    Scent© AI

1 of 3
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