2-Pentyl-4-propylthiazole

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  • Identifiers

    CAS number
    96693-86-6

    Molecular formula
    C11H19NS

    SMILES
    CCCCCC1=NC(=CS1)CCC

    Safety labels

  • Odor profile

    Fragrance
    Green 84.31%
    Vegetable 62.63%
    Fruity 44.46%
    Meaty 43.47%
    Nutty 43.41%
    Fatty 42.52%
    Roasted 40.55%
    Tropical 37.49%
    Earthy 35.43%
    Herbal 35.3%

     

    Flavor
    Green 83.25%
    Herbal 47.56%
    Fatty 45.54%
    Earthy 43.72%
    Pepper 42.93%
    Vegetable 40.88%
    Nutty 36.84%
    Roasted 34.52%
    Fruity 32.91%
    Mushroom 31.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.49 (neutral)

    Molecular weight
    197.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 96.01 ˚C est.

  • Synonyms

    • 2-Pentyl-4-propylthiazole
    • 2-pentyl-4-propyl-1,3-thiazole
    • 96693-86-6
    • RefChem:88993
    • DTXSID401312377
    • AKOS006320593
    • 96693-86-6

  • Applications

    2-Pentyl-4-propylthiazole (CAS 96693-86-6) is primarily encountered as a specialty odorant in fragrance and flavor chemistry. In perfumery and cosmetics it may serve as a note or as a fixative component to help extend fragrance longevity. It is also considered a chemical intermediate for the synthesis of thiazole-containing derivatives, supporting research and development of specialty compounds for industrial applications, including pharmaceuticals, agrochemicals, and materials. In addition, it may be explored as a structural building block for more complex thiazole-containing compounds in development programs. Its use is typically formulation- and regulation-dependent, i.e., subject to local rules and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2795.07
    methanol 1733.9
    isopropanol 2431.01
    water 0.06
    ethyl acetate 4790.61
    n-propanol 2294.35
    acetone 9199.11
    n-butanol 2666.21
    acetonitrile 2767.11
    DMF 6908.35
    toluene 3501.35
    isobutanol 2298.63
    1,4-dioxane 6746.99
    methyl acetate 3171.65
    THF 9457.2
    2-butanone 5129.88
    n-pentanol 1956.14
    sec-butanol 2147.78
    n-hexane 1006.85
    ethylene glycol 208.04
    NMP 4358.47
    cyclohexane 2231.2
    DMSO 5406.87
    n-butyl acetate 5377.79
    n-octanol 1048.22
    chloroform 8218.82
    n-propyl acetate 2922.01
    acetic acid 1997.98
    dichloromethane 8263.73
    cyclohexanone 9344.55
    propylene glycol 486.06
    isopropyl acetate 3370.21
    DMAc 3674.27
    2-ethoxyethanol 1882.79
    isopentanol 2621.72
    n-heptane 685.38
    ethyl formate 2090.96
    1,2-dichloroethane 6888.65
    n-hexanol 2862.09
    2-methoxyethanol 3047.18
    isobutyl acetate 2030.37
    tetrachloromethane 1528.35
    n-pentyl acetate 2168.27
    transcutol 6462.71
    n-heptanol 889.47
    ethylbenzene 1231.65
    MIBK 2694.07
    2-propoxyethanol 3171.47
    tert-butanol 2758.22
    MTBE 4349.82
    2-butoxyethanol 1328.93
    propionic acid 1463.07
    o-xylene 1313.55
    formic acid 227.79
    diethyl ether 5860.39
    m-xylene 1656.6
    p-xylene 1662.76
    chlorobenzene 3758.12
    dimethyl carbonate 1041.41
    n-octane 255.44
    formamide 462.79
    cyclopentanone 7580.01
    2-pentanone 5717.01
    anisole 1956.01
    cyclopentyl methyl ether 5005.64
    gamma-butyrolactone 5426.3
    1-methoxy-2-propanol 2549.3
    pyridine 6500.59
    3-pentanone 3554.36
    furfural 3721.53
    n-dodecane 178.06
    diethylene glycol 1360.3
    diisopropyl ether 1591.36
    tert-amyl alcohol 2085.61
    acetylacetone 5230.83
    n-hexadecane 218.06
    acetophenone 1779.17
    methyl propionate 3122.91
    isopentyl acetate 4052.94
    trichloroethylene 10521.66
    n-nonanol 895.1
    cyclohexanol 3324.22
    benzyl alcohol 1513.63
    2-ethylhexanol 1737.66
    isooctanol 740.83
    dipropyl ether 2986.74
    1,2-dichlorobenzene 2602.24
    ethyl lactate 614.55
    propylene carbonate 3113.92
    n-methylformamide 1694.13
    2-pentanol 2026.74
    n-pentane 800.24
    1-propoxy-2-propanol 2607.4
    1-methoxy-2-propyl acetate 3059.01
    2-(2-methoxypropoxy) propanol 1136.15
    mesitylene 952.86
    ε-caprolactone 5298.83
    p-cymene 743.76
    epichlorohydrin 6622.34
    1,1,1-trichloroethane 5753.41
    2-aminoethanol 574.14
    morpholine-4-carbaldehyde 4250.46
    sulfolane 5225.12
    2,2,4-trimethylpentane 286.26
    2-methyltetrahydrofuran 7091.6
    n-hexyl acetate 2690.15
    isooctane 258.05
    2-(2-butoxyethoxy)ethanol 1807.67
    sec-butyl acetate 1877.46
    tert-butyl acetate 2921.42
    decalin 587.61
    glycerin 536.84
    diglyme 3406.75
    acrylic acid 1069.91
    isopropyl myristate 918.58
    n-butyric acid 3430.8
    acetyl acetate 2521.22
    di(2-ethylhexyl) phthalate 694.27
    ethyl propionate 1998.82
    nitromethane 3244.69
    1,2-diethoxyethane 4313.59
    benzonitrile 2438.59
    trioctyl phosphate 530.62
    1-bromopropane 4818.68
    gamma-valerolactone 6830.96
    n-decanol 636.78
    triethyl phosphate 679.76
    4-methyl-2-pentanol 1069.13
    propionitrile 2207.28
    vinylene carbonate 2486.5
    1,1,2-trichlorotrifluoroethane 2887.93
    DMS 1587.0
    cumene 687.07
    2-octanol 723.61
    2-hexanone 3380.92
    octyl acetate 1119.45
    limonene 1498.82
    1,2-dimethoxyethane 5010.6
    ethyl orthosilicate 733.06
    tributyl phosphate 728.24
    diacetone alcohol 2040.7
    N,N-dimethylaniline 1174.92
    acrylonitrile 2090.67
    aniline 2666.17
    1,3-propanediol 1299.79
    bromobenzene 4561.14
    dibromomethane 6111.73
    1,1,2,2-tetrachloroethane 7727.15
    2-methyl-cyclohexyl acetate 1516.68
    tetrabutyl urea 1039.83
    diisobutyl methanol 868.63
    2-phenylethanol 1686.36
    styrene 1953.44
    dioctyl adipate 1108.97
    dimethyl sulfate 1319.01
    ethyl butyrate 2496.09
    methyl lactate 789.35
    butyl lactate 1171.2
    diethyl carbonate 1223.89
    propanediol butyl ether 1208.23
    triethyl orthoformate 1516.04
    p-tert-butyltoluene 695.01
    methyl 4-tert-butylbenzoate 1036.08
    morpholine 7193.65
    tert-butylamine 1994.58
    n-dodecanol 502.19
    dimethoxymethane 4182.66
    ethylene carbonate 2602.34
    cyrene 999.1
    2-ethoxyethyl acetate 2584.74
    2-ethylhexyl acetate 3168.61
    1,2,4-trichlorobenzene 2715.22
    4-methylpyridine 7068.97
    dibutyl ether 2622.28
    2,6-dimethyl-4-heptanol 868.63
    DEF 4698.3
    dimethyl isosorbide 2101.8
    tetrachloroethylene 4800.83
    eugenol 1070.05
    triacetin 1538.12
    span 80 1269.85
    1,4-butanediol 552.85
    1,1-dichloroethane 6696.82
    2-methyl-1-pentanol 1787.19
    methyl formate 1404.69
    2-methyl-1-butanol 2270.04
    n-decane 329.46
    butyronitrile 3693.3
    3,7-dimethyl-1-octanol 1071.14
    1-chlorooctane 1159.51
    1-chlorotetradecane 444.73
    n-nonane 348.76
    undecane 233.02
    tert-butylcyclohexane 443.14
    cyclooctane 584.0
    cyclopentanol 2684.6
    tetrahydropyran 9583.91
    tert-amyl methyl ether 2364.31
    2,5,8-trioxanonane 2065.78
    1-hexene 3044.04
    2-isopropoxyethanol 1430.73
    2,2,2-trifluoroethanol 452.09
    methyl butyrate 3120.84

    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