4-Butyl-5-propylthiazole

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  • Identifiers

    CAS number
    57246-59-0

    Molecular formula
    C10H17NS

    SMILES
    CCCCC1=C(SC=N1)CCC

    Safety labels

  • Odor profile

    Fragrance
    Green 88.75%
    Vegetable 63.19%
    Nutty 46.08%
    Roasted 40.94%
    Earthy 40.12%
    Herbal 39.04%
    Meaty 38.26%
    Fruity 34.3%
    Fatty 33.89%
    Leafy 28.42%

     

    Flavor
    Green 87.5%
    Herbal 50.28%
    Earthy 49.0%
    Nutty 47.7%
    Pepper 47.19%
    Fatty 46.78%
    Vegetable 43.7%
    Fruity 42.61%
    Raw 35.42%
    Roasted 32.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.85 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 87.91 ˚C est.

  • Synonyms

    • 4-butyl-5-propylthiazole
    • 4-butyl-5-propyl-1,3-thiazole
    • 57246-59-0
    • RefChem:98248
    • SCHEMBL6809076
    • CHEBI:187537
    • DTXSID001313280
    • AKOS006371261
    • 57246-59-0

  • Applications

    4-Butyl-5-propylthiazole (CAS 57246-59-0) is primarily used as an aroma/flavor compound and as a chemical intermediate in specialty synthesis. In perfumery and fragrance, it contributes distinctive roasty-to-nutty notes and is evaluated as a fragrance raw material; in flavor applications it may serve as a flavor modifier where legally permitted. It is also employed in cosmetics/personal care and household products as a fragrance additive to impart a characteristic aroma. In cleaning formulations it can function as a scent component to enhance product perception. As an intermediate, it may participate in the synthesis of other thiazole derivatives for specialty chemicals in industrial manufacturing and polymer-related contexts, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 928.74
    methanol 629.53
    isopropanol 873.87
    water 0.08
    ethyl acetate 1162.48
    n-propanol 839.94
    acetone 2225.8
    n-butanol 945.77
    acetonitrile 851.64
    DMF 2664.78
    toluene 1331.45
    isobutanol 812.48
    1,4-dioxane 2042.97
    methyl acetate 1017.89
    THF 2863.56
    2-butanone 1633.42
    n-pentanol 742.71
    sec-butanol 786.1
    n-hexane 227.08
    ethylene glycol 100.42
    NMP 1805.52
    cyclohexane 599.64
    DMSO 1866.88
    n-butyl acetate 1732.81
    n-octanol 460.86
    chloroform 4075.51
    n-propyl acetate 887.12
    acetic acid 653.05
    dichloromethane 3607.55
    cyclohexanone 3192.47
    propylene glycol 198.34
    isopropyl acetate 799.44
    DMAc 1345.38
    2-ethoxyethanol 649.46
    isopentanol 882.74
    n-heptane 225.89
    ethyl formate 826.19
    1,2-dichloroethane 2620.14
    n-hexanol 1130.25
    2-methoxyethanol 997.24
    isobutyl acetate 699.79
    tetrachloromethane 754.93
    n-pentyl acetate 788.5
    transcutol 1807.57
    n-heptanol 437.68
    ethylbenzene 533.15
    MIBK 794.41
    2-propoxyethanol 1142.25
    tert-butanol 936.29
    MTBE 1136.66
    2-butoxyethanol 600.66
    propionic acid 541.78
    o-xylene 538.6
    formic acid 88.78
    diethyl ether 1304.95
    m-xylene 651.73
    p-xylene 698.32
    chlorobenzene 1663.36
    dimethyl carbonate 372.8
    n-octane 106.99
    formamide 159.14
    cyclopentanone 2792.73
    2-pentanone 1434.01
    anisole 791.88
    cyclopentyl methyl ether 1395.3
    gamma-butyrolactone 1987.56
    1-methoxy-2-propanol 826.75
    pyridine 2454.64
    3-pentanone 1038.4
    furfural 1648.51
    n-dodecane 79.14
    diethylene glycol 554.79
    diisopropyl ether 391.32
    tert-amyl alcohol 729.96
    acetylacetone 1323.09
    n-hexadecane 93.69
    acetophenone 770.46
    methyl propionate 853.8
    isopentyl acetate 1359.82
    trichloroethylene 4387.17
    n-nonanol 390.46
    cyclohexanol 1213.24
    benzyl alcohol 710.77
    2-ethylhexanol 683.8
    isooctanol 364.27
    dipropyl ether 908.52
    1,2-dichlorobenzene 1221.24
    ethyl lactate 283.53
    propylene carbonate 1287.64
    n-methylformamide 685.16
    2-pentanol 670.94
    n-pentane 216.55
    1-propoxy-2-propanol 926.9
    1-methoxy-2-propyl acetate 964.13
    2-(2-methoxypropoxy) propanol 465.55
    mesitylene 396.63
    ε-caprolactone 1804.11
    p-cymene 355.19
    epichlorohydrin 2433.32
    1,1,1-trichloroethane 2378.2
    2-aminoethanol 248.48
    morpholine-4-carbaldehyde 1587.89
    sulfolane 2067.54
    2,2,4-trimethylpentane 108.46
    2-methyltetrahydrofuran 2106.57
    n-hexyl acetate 942.27
    isooctane 95.53
    2-(2-butoxyethoxy)ethanol 689.85
    sec-butyl acetate 583.48
    tert-butyl acetate 801.16
    decalin 205.01
    glycerin 240.55
    diglyme 1319.54
    acrylic acid 446.61
    isopropyl myristate 376.31
    n-butyric acid 1119.1
    acetyl acetate 696.21
    di(2-ethylhexyl) phthalate 329.1
    ethyl propionate 636.16
    nitromethane 993.44
    1,2-diethoxyethane 1121.42
    benzonitrile 1224.25
    trioctyl phosphate 250.63
    1-bromopropane 1692.13
    gamma-valerolactone 2524.45
    n-decanol 291.06
    triethyl phosphate 308.24
    4-methyl-2-pentanol 374.52
    propionitrile 911.32
    vinylene carbonate 1157.1
    1,1,2-trichlorotrifluoroethane 1202.75
    DMS 581.31
    cumene 315.98
    2-octanol 358.69
    2-hexanone 1107.13
    octyl acetate 450.73
    limonene 598.75
    1,2-dimethoxyethane 1595.1
    ethyl orthosilicate 320.13
    tributyl phosphate 311.11
    diacetone alcohol 670.56
    N,N-dimethylaniline 516.09
    acrylonitrile 954.71
    aniline 962.88
    1,3-propanediol 475.07
    bromobenzene 1992.94
    dibromomethane 2608.91
    1,1,2,2-tetrachloroethane 3219.06
    2-methyl-cyclohexyl acetate 639.85
    tetrabutyl urea 443.87
    diisobutyl methanol 362.1
    2-phenylethanol 738.39
    styrene 793.7
    dioctyl adipate 461.31
    dimethyl sulfate 509.82
    ethyl butyrate 869.21
    methyl lactate 311.92
    butyl lactate 505.68
    diethyl carbonate 512.96
    propanediol butyl ether 535.35
    triethyl orthoformate 568.7
    p-tert-butyltoluene 342.31
    methyl 4-tert-butylbenzoate 521.8
    morpholine 2210.81
    tert-butylamine 647.09
    n-dodecanol 232.75
    dimethoxymethane 1222.17
    ethylene carbonate 1047.68
    cyrene 516.42
    2-ethoxyethyl acetate 867.34
    2-ethylhexyl acetate 1116.38
    1,2,4-trichlorobenzene 1246.91
    4-methylpyridine 2636.45
    dibutyl ether 750.12
    2,6-dimethyl-4-heptanol 362.1
    DEF 1410.44
    dimethyl isosorbide 934.66
    tetrachloroethylene 2067.9
    eugenol 560.68
    triacetin 601.81
    span 80 541.5
    1,4-butanediol 249.8
    1,1-dichloroethane 2547.82
    2-methyl-1-pentanol 656.72
    methyl formate 585.47
    2-methyl-1-butanol 806.22
    n-decane 134.75
    butyronitrile 1284.29
    3,7-dimethyl-1-octanol 433.54
    1-chlorooctane 469.32
    1-chlorotetradecane 194.13
    n-nonane 143.01
    undecane 98.33
    tert-butylcyclohexane 171.06
    cyclooctane 185.72
    cyclopentanol 1020.05
    tetrahydropyran 2617.33
    tert-amyl methyl ether 685.79
    2,5,8-trioxanonane 845.56
    1-hexene 803.71
    2-isopropoxyethanol 518.75
    2,2,2-trifluoroethanol 175.13
    methyl butyrate 1012.61

    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