4-Ethyl-5-propylthiazole

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  • Identifiers

    CAS number
    57246-61-4

    Molecular formula
    C8H13NS

    SMILES
    CCCC1=C(N=CS1)CC

  • Odor profile

    Fragrance
    Green 92.08%
    Vegetable 67.8%
    Nutty 56.48%
    Roasted 46.44%
    Earthy 45.47%
    Meaty 42.6%
    Herbal 33.69%
    Leafy 32.53%
    Fruity 32.21%
    Tomato 31.52%

     

    Flavor
    Green 91.5%
    Nutty 64.89%
    Earthy 53.02%
    Vegetable 51.97%
    Pepper 44.65%
    Fruity 44.46%
    Fatty 41.72%
    Raw 41.47%
    Herbal 37.43%
    Roasted 33.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.1 (neutral)

    Molecular weight
    155.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Melting point expt.

    • 108 °C

    Flash point

    • 69.94 ˚C est.

  • Synonyms

    • 4-Ethyl-5-propylthiazole
    • Thiazole, 4-ethyl-5-propyl-
    • 57246-61-4
    • JKD8WB2UTK
    • 4-ethyl-5-propyl-1,3-thiazole
    • EINECS 260-646-6
    • DTXSID1069166
    • 4-Ethyl-5-propyl-Thiazole
    • UNII-JKD8WB2UTK
    • DTXCID3042188
    • SCHEMBL12179151
    • DB-316584
    • NS00053296
    • 260-646-6

  • Applications

    4-Ethyl-5-propylthiazole (CAS 57246-61-4) is a thiazole-based odorant commonly used in perfumery and flavor formulations to impart warm, resinous or woody notes. It is also evaluated for use in cosmetics and personal care products as a fragrance ingredient, and may appear as an aroma additive in household cleaning products. In industrial manufacturing, the compound can serve as a chemical intermediate for the synthesis of other heterocyclic or aroma-related compounds. Additionally, it may be employed in coatings and inks as a fragrance additive to enhance odor profiles, or used as a component in formulation studies where precise scent characteristics are required.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 327.49
    methanol 340.89
    isopropanol 251.28
    water 0.42
    ethyl acetate 410.49
    n-propanol 297.41
    acetone 729.15
    n-butanol 312.84
    acetonitrile 414.19
    DMF 1042.56
    toluene 538.32
    isobutanol 271.76
    1,4-dioxane 825.06
    methyl acetate 425.22
    THF 1177.8
    2-butanone 591.44
    n-pentanol 291.44
    sec-butanol 268.5
    n-hexane 95.84
    ethylene glycol 78.62
    NMP 1078.11
    cyclohexane 196.53
    DMSO 906.52
    n-butyl acetate 701.81
    n-octanol 276.62
    chloroform 1996.88
    n-propyl acetate 421.38
    acetic acid 290.27
    dichloromethane 1952.47
    cyclohexanone 1165.2
    propylene glycol 97.39
    isopropyl acetate 280.47
    DMAc 625.67
    2-ethoxyethanol 337.2
    isopentanol 287.89
    n-heptane 151.0
    ethyl formate 378.64
    1,2-dichloroethane 1123.99
    n-hexanol 457.91
    2-methoxyethanol 416.85
    isobutyl acetate 319.01
    tetrachloromethane 490.59
    n-pentyl acetate 441.31
    transcutol 716.53
    n-heptanol 252.52
    ethylbenzene 287.6
    MIBK 317.15
    2-propoxyethanol 556.15
    tert-butanol 307.94
    MTBE 342.07
    2-butoxyethanol 341.27
    propionic acid 268.36
    o-xylene 320.87
    formic acid 59.6
    diethyl ether 392.6
    m-xylene 354.37
    p-xylene 383.42
    chlorobenzene 882.56
    dimethyl carbonate 220.68
    n-octane 75.18
    formamide 100.51
    cyclopentanone 1166.67
    2-pentanone 479.27
    anisole 464.71
    cyclopentyl methyl ether 531.97
    gamma-butyrolactone 1058.31
    1-methoxy-2-propanol 333.48
    pyridine 996.38
    3-pentanone 395.91
    furfural 986.28
    n-dodecane 65.0
    diethylene glycol 321.56
    diisopropyl ether 159.56
    tert-amyl alcohol 285.61
    acetylacetone 530.84
    n-hexadecane 74.6
    acetophenone 470.68
    methyl propionate 356.45
    isopentyl acetate 562.46
    trichloroethylene 2029.25
    n-nonanol 236.78
    cyclohexanol 390.96
    benzyl alcohol 381.66
    2-ethylhexanol 341.95
    isooctanol 218.96
    dipropyl ether 421.31
    1,2-dichlorobenzene 778.04
    ethyl lactate 182.92
    propylene carbonate 694.5
    n-methylformamide 353.99
    2-pentanol 215.63
    n-pentane 95.18
    1-propoxy-2-propanol 413.5
    1-methoxy-2-propyl acetate 461.9
    2-(2-methoxypropoxy) propanol 315.23
    mesitylene 257.47
    ε-caprolactone 796.42
    p-cymene 268.94
    epichlorohydrin 1100.89
    1,1,1-trichloroethane 1136.75
    2-aminoethanol 140.28
    morpholine-4-carbaldehyde 925.17
    sulfolane 1240.74
    2,2,4-trimethylpentane 61.4
    2-methyltetrahydrofuran 807.0
    n-hexyl acetate 535.66
    isooctane 54.86
    2-(2-butoxyethoxy)ethanol 392.83
    sec-butyl acetate 265.47
    tert-butyl acetate 317.45
    decalin 115.41
    glycerin 144.07
    diglyme 707.9
    acrylic acid 251.42
    isopropyl myristate 260.11
    n-butyric acid 398.34
    acetyl acetate 292.89
    di(2-ethylhexyl) phthalate 238.64
    ethyl propionate 307.53
    nitromethane 512.03
    1,2-diethoxyethane 489.28
    benzonitrile 712.22
    trioctyl phosphate 186.67
    1-bromopropane 643.62
    gamma-valerolactone 1180.07
    n-decanol 186.19
    triethyl phosphate 220.4
    4-methyl-2-pentanol 153.72
    propionitrile 412.14
    vinylene carbonate 685.67
    1,1,2-trichlorotrifluoroethane 589.76
    DMS 368.11
    cumene 217.64
    2-octanol 216.38
    2-hexanone 460.71
    octyl acetate 300.82
    limonene 388.43
    1,2-dimethoxyethane 671.47
    ethyl orthosilicate 216.47
    tributyl phosphate 215.45
    diacetone alcohol 309.8
    N,N-dimethylaniline 348.67
    acrylonitrile 501.84
    aniline 414.2
    1,3-propanediol 212.55
    bromobenzene 1054.13
    dibromomethane 1328.22
    1,1,2,2-tetrachloroethane 1418.0
    2-methyl-cyclohexyl acetate 384.02
    tetrabutyl urea 310.04
    diisobutyl methanol 201.03
    2-phenylethanol 427.37
    styrene 402.49
    dioctyl adipate 319.6
    dimethyl sulfate 353.3
    ethyl butyrate 452.52
    methyl lactate 181.49
    butyl lactate 287.91
    diethyl carbonate 301.17
    propanediol butyl ether 296.85
    triethyl orthoformate 305.26
    p-tert-butyltoluene 248.53
    methyl 4-tert-butylbenzoate 389.34
    morpholine 765.71
    tert-butylamine 232.38
    n-dodecanol 155.42
    dimethoxymethane 550.83
    ethylene carbonate 561.58
    cyrene 360.8
    2-ethoxyethyl acetate 466.84
    2-ethylhexyl acetate 493.49
    1,2,4-trichlorobenzene 795.06
    4-methylpyridine 1027.81
    dibutyl ether 374.82
    2,6-dimethyl-4-heptanol 201.03
    DEF 538.03
    dimethyl isosorbide 617.45
    tetrachloroethylene 1008.77
    eugenol 395.23
    triacetin 394.09
    span 80 338.51
    1,4-butanediol 137.27
    1,1-dichloroethane 1044.45
    2-methyl-1-pentanol 278.39
    methyl formate 324.39
    2-methyl-1-butanol 281.35
    n-decane 97.77
    butyronitrile 485.77
    3,7-dimethyl-1-octanol 253.36
    1-chlorooctane 299.74
    1-chlorotetradecane 144.3
    n-nonane 101.44
    undecane 76.76
    tert-butylcyclohexane 100.81
    cyclooctane 85.81
    cyclopentanol 417.17
    tetrahydropyran 792.01
    tert-amyl methyl ether 271.13
    2,5,8-trioxanonane 521.04
    1-hexene 276.82
    2-isopropoxyethanol 272.31
    2,2,2-trifluoroethanol 114.61
    methyl butyrate 448.58

    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