2,5-Diethyl-4-propylthiazole

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  • Identifiers

    CAS number
    4276-68-0

    Molecular formula
    C10H17NS

    SMILES
    CCCC1=C(SC(=N1)CC)CC

  • Odor profile

    Fragrance
    Green 87.53%
    Fruity 68.53%
    Vegetable 52.99%
    Nutty 52.9%
    Earthy 45.05%
    Roasted 43.37%
    Meaty 35.44%
    Tropical 35.29%
    Sulfurous 30.42%
    Musty 27.91%

     

    Flavor
    Green 87.78%
    Earthy 50.69%
    Nutty 49.36%
    Vegetable 46.41%
    Pepper 41.53%
    Fruity 39.93%
    Raw 36.47%
    Herbal 34.33%
    Fatty 33.08%
    Roasted 32.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.82 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 77.45 ˚C est.

  • Synonyms

    • 2,5-Diethyl-4-propylthiazole
    • UNII-6YRT6Z8A8J
    • 6YRT6Z8A8J
    • Thiazole, 2,5-diethyl-4-propyl-
    • 4276-68-0
    • DTXSID401019783
    • 2,5-diethyl-4-propyl-1,3-thiazole
    • 2,5-diethyl-4-propyl thiazole
    • CNHZSCGZZKCROX-UHFFFAOYSA-N
    • DTXCID601477678
    • AKOS006370740
    • NS00120754
    • Q27265732

  • Applications

    2,5-Diethyl-4-propylthiazole (CAS number: 4276-68-0) is primarily encountered as a specialty odorant and fragrance intermediate, contributing woody, nutty, or spicy notes in perfumery and personal care formulations. It is also evaluated as a flavor/aroma ingredient in selected applications where regulatory allowances permit. In industrial manufacturing, it serves as an organic synthesis intermediate for the preparation of other thiazole-containing specialty chemicals and as a building block in research for coatings, inks, and functional materials. The compound may also function as a fragrance component in cleaning and household products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 589.1
    methanol 458.5
    isopropanol 641.92
    water 0.27
    ethyl acetate 1207.31
    n-propanol 674.45
    acetone 2067.9
    n-butanol 732.21
    acetonitrile 893.62
    DMF 2767.1
    toluene 1682.91
    isobutanol 681.3
    1,4-dioxane 2305.49
    methyl acetate 1204.94
    THF 3619.38
    2-butanone 1696.61
    n-pentanol 662.41
    sec-butanol 768.83
    n-hexane 371.01
    ethylene glycol 95.71
    NMP 3012.81
    cyclohexane 762.52
    DMSO 1787.87
    n-butyl acetate 1877.76
    n-octanol 740.13
    chloroform 5127.62
    n-propyl acetate 1137.59
    acetic acid 586.6
    dichloromethane 4428.66
    cyclohexanone 3728.54
    propylene glycol 187.7
    isopropyl acetate 909.73
    DMAc 1872.24
    2-ethoxyethanol 606.67
    isopentanol 749.96
    n-heptane 367.62
    ethyl formate 822.76
    1,2-dichloroethane 2751.24
    n-hexanol 1037.08
    2-methoxyethanol 822.54
    isobutyl acetate 914.47
    tetrachloromethane 1148.57
    n-pentyl acetate 1341.47
    transcutol 1416.38
    n-heptanol 588.53
    ethylbenzene 968.59
    MIBK 954.16
    2-propoxyethanol 1055.45
    tert-butanol 793.96
    MTBE 1136.58
    2-butoxyethanol 716.33
    propionic acid 605.27
    o-xylene 936.3
    formic acid 83.62
    diethyl ether 1198.48
    m-xylene 1036.93
    p-xylene 1374.67
    chlorobenzene 2524.65
    dimethyl carbonate 601.0
    n-octane 218.81
    formamide 171.62
    cyclopentanone 3694.38
    2-pentanone 1423.12
    anisole 1289.72
    cyclopentyl methyl ether 1732.98
    gamma-butyrolactone 3136.55
    1-methoxy-2-propanol 755.81
    pyridine 2958.88
    3-pentanone 1199.92
    furfural 2409.39
    n-dodecane 168.22
    diethylene glycol 479.06
    diisopropyl ether 513.6
    tert-amyl alcohol 809.38
    acetylacetone 1664.57
    n-hexadecane 198.76
    acetophenone 1310.93
    methyl propionate 1015.23
    isopentyl acetate 1561.7
    trichloroethylene 5319.39
    n-nonanol 631.17
    cyclohexanol 1212.05
    benzyl alcohol 914.73
    2-ethylhexanol 834.75
    isooctanol 530.47
    dipropyl ether 1024.37
    1,2-dichlorobenzene 2104.34
    ethyl lactate 413.72
    propylene carbonate 1907.6
    n-methylformamide 740.47
    2-pentanol 607.06
    n-pentane 296.53
    1-propoxy-2-propanol 926.9
    1-methoxy-2-propyl acetate 1228.92
    2-(2-methoxypropoxy) propanol 717.09
    mesitylene 734.64
    ε-caprolactone 2364.35
    p-cymene 667.12
    epichlorohydrin 2939.13
    1,1,1-trichloroethane 3238.88
    2-aminoethanol 216.9
    morpholine-4-carbaldehyde 2311.97
    sulfolane 3483.32
    2,2,4-trimethylpentane 184.83
    2-methyltetrahydrofuran 2589.26
    n-hexyl acetate 1689.66
    isooctane 148.78
    2-(2-butoxyethoxy)ethanol 827.78
    sec-butyl acetate 792.79
    tert-butyl acetate 1027.78
    decalin 378.65
    glycerin 231.98
    diglyme 1550.21
    acrylic acid 523.74
    isopropyl myristate 726.62
    n-butyric acid 976.74
    acetyl acetate 880.58
    di(2-ethylhexyl) phthalate 604.19
    ethyl propionate 915.33
    nitromethane 1179.82
    1,2-diethoxyethane 1259.54
    benzonitrile 1817.9
    trioctyl phosphate 479.85
    1-bromopropane 1888.43
    gamma-valerolactone 3355.4
    n-decanol 480.35
    triethyl phosphate 555.42
    4-methyl-2-pentanol 413.18
    propionitrile 1016.89
    vinylene carbonate 1750.11
    1,1,2-trichlorotrifluoroethane 1455.16
    DMS 1182.96
    cumene 628.64
    2-octanol 619.99
    2-hexanone 1273.9
    octyl acetate 888.74
    limonene 1010.41
    1,2-dimethoxyethane 1602.73
    ethyl orthosilicate 527.49
    tributyl phosphate 576.81
    diacetone alcohol 802.3
    N,N-dimethylaniline 976.21
    acrylonitrile 1185.31
    aniline 1161.8
    1,3-propanediol 375.71
    bromobenzene 3223.38
    dibromomethane 3131.81
    1,1,2,2-tetrachloroethane 4032.14
    2-methyl-cyclohexyl acetate 1066.25
    tetrabutyl urea 827.36
    diisobutyl methanol 468.97
    2-phenylethanol 1047.29
    styrene 1351.44
    dioctyl adipate 905.43
    dimethyl sulfate 943.75
    ethyl butyrate 1163.58
    methyl lactate 409.02
    butyl lactate 753.37
    diethyl carbonate 782.44
    propanediol butyl ether 643.25
    triethyl orthoformate 789.24
    p-tert-butyltoluene 655.04
    methyl 4-tert-butylbenzoate 1037.84
    morpholine 2081.25
    tert-butylamine 614.8
    n-dodecanol 390.02
    dimethoxymethane 1396.53
    ethylene carbonate 1501.78
    cyrene 867.44
    2-ethoxyethyl acetate 1256.66
    2-ethylhexyl acetate 1401.22
    1,2,4-trichlorobenzene 2253.28
    4-methylpyridine 3187.72
    dibutyl ether 1155.89
    2,6-dimethyl-4-heptanol 468.97
    DEF 1572.94
    dimethyl isosorbide 1485.37
    tetrachloroethylene 2646.12
    eugenol 970.45
    triacetin 1132.92
    span 80 809.8
    1,4-butanediol 229.98
    1,1-dichloroethane 2802.73
    2-methyl-1-pentanol 706.09
    methyl formate 724.69
    2-methyl-1-butanol 758.95
    n-decane 275.12
    butyronitrile 1271.96
    3,7-dimethyl-1-octanol 651.23
    1-chlorooctane 876.95
    1-chlorotetradecane 366.93
    n-nonane 292.1
    undecane 206.08
    tert-butylcyclohexane 310.18
    cyclooctane 309.23
    cyclopentanol 1215.69
    tetrahydropyran 2604.46
    tert-amyl methyl ether 917.25
    2,5,8-trioxanonane 1133.91
    1-hexene 972.61
    2-isopropoxyethanol 546.2
    2,2,2-trifluoroethanol 227.98
    methyl butyrate 1316.13

    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