2-Butyl-4-propylthiazole

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  • Identifiers

    CAS number
    96693-89-9

    Molecular formula
    C10H17NS

    SMILES
    CCCCC1=NC(=CS1)CCC

    Safety labels

  • Odor profile

    Fragrance
    Green 87.93%
    Vegetable 64.0%
    Fruity 49.11%
    Nutty 43.37%
    Meaty 38.81%
    Roasted 38.34%
    Tropical 38.13%
    Herbal 37.97%
    Earthy 36.06%
    Fatty 33.04%

     

    Flavor
    Green 87.96%
    Herbal 47.46%
    Earthy 45.97%
    Pepper 44.85%
    Vegetable 44.21%
    Fatty 42.39%
    Nutty 40.17%
    Fruity 34.41%
    Roasted 33.49%
    Raw 33.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.67 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    247°C

    Flash point

    • 87.4 ˚C est.

  • Synonyms

    • 2-Butyl-4-propylthiazole
    • 2-butyl-4-propyl-1,3-thiazole
    • 96693-89-9
    • RefChem:86035
    • SCHEMBL30665041
    • DTXSID401313101
    • AKOS006370747
    • 96693-89-9

  • Applications

    2-Butyl-4-propylthiazole (CAS 96693-89-9) is used primarily as an odor-active compound in fragrance and flavor applications, contributing distinct notes in perfumery and flavor formulations; it is commonly evaluated as an ingredient in cosmetics and personal care products where it provides a characteristic aroma. It may also serve as an intermediate or building block in fine chemical synthesis, including pharmaceutical or agrochemical research, and can be employed in household and cleaning products as an odorant additive to impart or mask scents. In industrial manufacturing, it may function as a precursor for thiazole-containing polymers or materials, depending on the route and regulatory constraints; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 770.02
    methanol 496.18
    isopropanol 759.2
    water 0.05
    ethyl acetate 1186.6
    n-propanol 717.95
    acetone 2225.53
    n-butanol 878.3
    acetonitrile 689.14
    DMF 2687.7
    toluene 1351.77
    isobutanol 769.76
    1,4-dioxane 2112.02
    methyl acetate 949.71
    THF 3302.43
    2-butanone 1520.49
    n-pentanol 751.55
    sec-butanol 754.34
    n-hexane 383.34
    ethylene glycol 94.01
    NMP 1949.31
    cyclohexane 790.27
    DMSO 2013.81
    n-butyl acetate 1710.0
    n-octanol 554.81
    chloroform 3679.35
    n-propyl acetate 923.65
    acetic acid 664.22
    dichloromethane 3135.65
    cyclohexanone 3094.32
    propylene glycol 223.41
    isopropyl acetate 915.22
    DMAc 1616.09
    2-ethoxyethanol 660.2
    isopentanol 920.89
    n-heptane 301.24
    ethyl formate 687.05
    1,2-dichloroethane 2289.03
    n-hexanol 1173.77
    2-methoxyethanol 981.95
    isobutyl acetate 755.12
    tetrachloromethane 642.38
    n-pentyl acetate 815.24
    transcutol 2267.95
    n-heptanol 446.26
    ethylbenzene 608.88
    MIBK 886.16
    2-propoxyethanol 1189.33
    tert-butanol 955.9
    MTBE 1246.6
    2-butoxyethanol 615.48
    propionic acid 539.84
    o-xylene 595.04
    formic acid 82.88
    diethyl ether 1364.9
    m-xylene 714.11
    p-xylene 817.48
    chlorobenzene 1639.44
    dimethyl carbonate 390.81
    n-octane 135.39
    formamide 139.87
    cyclopentanone 2911.32
    2-pentanone 1540.18
    anisole 873.0
    cyclopentyl methyl ether 1629.05
    gamma-butyrolactone 2038.3
    1-methoxy-2-propanol 885.74
    pyridine 2464.79
    3-pentanone 1105.01
    furfural 1672.54
    n-dodecane 103.69
    diethylene glycol 573.39
    diisopropyl ether 461.97
    tert-amyl alcohol 789.47
    acetylacetone 1519.86
    n-hexadecane 123.57
    acetophenone 836.6
    methyl propionate 898.8
    isopentyl acetate 1449.96
    trichloroethylene 3996.77
    n-nonanol 477.79
    cyclohexanol 1231.37
    benzyl alcohol 731.94
    2-ethylhexanol 767.9
    isooctanol 391.41
    dipropyl ether 1035.66
    1,2-dichlorobenzene 1193.33
    ethyl lactate 309.1
    propylene carbonate 1313.25
    n-methylformamide 566.14
    2-pentanol 697.53
    n-pentane 290.86
    1-propoxy-2-propanol 1009.8
    1-methoxy-2-propyl acetate 1079.89
    2-(2-methoxypropoxy) propanol 616.06
    mesitylene 447.25
    ε-caprolactone 1872.42
    p-cymene 385.44
    epichlorohydrin 2336.63
    1,1,1-trichloroethane 2174.67
    2-aminoethanol 234.76
    morpholine-4-carbaldehyde 1705.41
    sulfolane 2330.31
    2,2,4-trimethylpentane 134.45
    2-methyltetrahydrofuran 2280.39
    n-hexyl acetate 1131.63
    isooctane 116.97
    2-(2-butoxyethoxy)ethanol 862.43
    sec-butyl acetate 653.27
    tert-butyl acetate 916.29
    decalin 281.69
    glycerin 268.06
    diglyme 1509.43
    acrylic acid 434.13
    isopropyl myristate 461.14
    n-butyric acid 1106.65
    acetyl acetate 772.17
    di(2-ethylhexyl) phthalate 405.02
    ethyl propionate 669.5
    nitromethane 933.69
    1,2-diethoxyethane 1288.58
    benzonitrile 1160.9
    trioctyl phosphate 296.77
    1-bromopropane 1569.96
    gamma-valerolactone 2468.99
    n-decanol 357.9
    triethyl phosphate 341.51
    4-methyl-2-pentanol 425.68
    propionitrile 760.6
    vinylene carbonate 1097.12
    1,1,2-trichlorotrifluoroethane 1216.57
    DMS 709.23
    cumene 372.88
    2-octanol 387.54
    2-hexanone 1211.69
    octyl acetate 560.62
    limonene 691.74
    1,2-dimethoxyethane 1713.84
    ethyl orthosilicate 352.32
    tributyl phosphate 384.7
    diacetone alcohol 789.01
    N,N-dimethylaniline 612.52
    acrylonitrile 782.6
    aniline 1022.65
    1,3-propanediol 470.95
    bromobenzene 2018.0
    dibromomethane 2394.7
    1,1,2,2-tetrachloroethane 3131.42
    2-methyl-cyclohexyl acetate 738.66
    tetrabutyl urea 533.87
    diisobutyl methanol 416.04
    2-phenylethanol 800.77
    styrene 894.19
    dioctyl adipate 584.61
    dimethyl sulfate 566.4
    ethyl butyrate 884.4
    methyl lactate 355.84
    butyl lactate 554.7
    diethyl carbonate 532.33
    propanediol butyl ether 623.96
    triethyl orthoformate 616.87
    p-tert-butyltoluene 375.69
    methyl 4-tert-butylbenzoate 590.07
    morpholine 2153.84
    tert-butylamine 726.0
    n-dodecanol 288.22
    dimethoxymethane 1287.44
    ethylene carbonate 1008.73
    cyrene 575.41
    2-ethoxyethyl acetate 932.35
    2-ethylhexyl acetate 1174.95
    1,2,4-trichlorobenzene 1294.24
    4-methylpyridine 2593.05
    dibutyl ether 994.06
    2,6-dimethyl-4-heptanol 416.04
    DEF 1501.54
    dimethyl isosorbide 1102.43
    tetrachloroethylene 1954.67
    eugenol 626.08
    triacetin 749.93
    span 80 696.62
    1,4-butanediol 245.28
    1,1-dichloroethane 2297.46
    2-methyl-1-pentanol 725.3
    methyl formate 495.19
    2-methyl-1-butanol 838.24
    n-decane 183.0
    butyronitrile 1110.41
    3,7-dimethyl-1-octanol 554.79
    1-chlorooctane 584.42
    1-chlorotetradecane 244.13
    n-nonane 195.02
    undecane 131.49
    tert-butylcyclohexane 227.43
    cyclooctane 242.1
    cyclopentanol 1090.84
    tetrahydropyran 2704.47
    tert-amyl methyl ether 808.69
    2,5,8-trioxanonane 1054.26
    1-hexene 1078.51
    2-isopropoxyethanol 568.6
    2,2,2-trifluoroethanol 174.85
    methyl butyrate 1033.43

    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