5-Ethyl-4-methyl-2-pentylthiazole

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  • Identifiers

    CAS number
    96693-87-7

    Molecular formula
    C11H19NS

    SMILES
    CCCCCC1=NC(=C(S1)CC)C

    Safety labels

  • Odor profile

    Fragrance
    Green 78.6%
    Vegetable 55.62%
    Nutty 55.09%
    Roasted 54.45%
    Fruity 48.43%
    Meaty 47.79%
    Earthy 41.88%
    Tropical 33.12%
    Fatty 32.7%
    Sulfurous 32.69%

     

    Flavor
    Green 74.56%
    Earthy 48.91%
    Pepper 41.66%
    Roasted 39.53%
    Herbal 39.32%
    Vegetable 38.9%
    Nutty 38.2%
    Fatty 32.42%
    Meaty 32.35%
    Raw 30.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.71 (neutral)

    Molecular weight
    197.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 88.64 ˚C est.

  • Synonyms

    • 5-Ethyl-4-methyl-2-pentylthiazole
    • 5-ethyl-4-methyl-2-pentyl-1,3-thiazole
    • 96693-87-7
    • RefChem:102564
    • CHEBI:230729
    • YHXYVNQEOGPEKA-UHFFFAOYSA-N
    • DTXSID101299580
    • 2-pentyl-4-methyl-5-ethylthiazole
    • 5-ethyl-4-methyl-2-pentyl-thiazole
    • AKOS006320594
    • 96693-87-7

  • Applications

    5-Ethyl-4-methyl-2-pentylthiazole (CAS 96693-87-7) is primarily used as an aroma- or fragrance-active compound in perfumery and cosmetic formulations, where it can also contribute as a minor fixative to extend fragrance notes. It may be evaluated for use as a flavor/aroma ingredient in consumer products, and functions as a synthetic building block or intermediate in industrial manufacturing, including pharmaceutical, agrochemical, or specialty polymer synthesis. In coatings or inks, it can serve as a fragrance additive or chemical precursor, depending on formulation requirements, with usage subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1463.7
    methanol 1130.13
    isopropanol 1305.82
    water 0.13
    ethyl acetate 2900.41
    n-propanol 1327.31
    acetone 3991.55
    n-butanol 1512.95
    acetonitrile 1674.8
    DMF 3973.68
    toluene 2328.42
    isobutanol 1311.91
    1,4-dioxane 5110.84
    methyl acetate 2092.15
    THF 5946.69
    2-butanone 3027.48
    n-pentanol 1118.16
    sec-butanol 1259.29
    n-hexane 558.64
    ethylene glycol 117.55
    NMP 3361.6
    cyclohexane 1356.83
    DMSO 2419.64
    n-butyl acetate 3570.45
    n-octanol 656.52
    chloroform 5591.86
    n-propyl acetate 1752.79
    acetic acid 1098.34
    dichloromethane 5125.95
    cyclohexanone 5660.28
    propylene glycol 239.06
    isopropyl acetate 2103.59
    DMAc 2745.06
    2-ethoxyethanol 1172.93
    isopentanol 1614.52
    n-heptane 376.64
    ethyl formate 1225.96
    1,2-dichloroethane 3985.4
    n-hexanol 1836.14
    2-methoxyethanol 1752.21
    isobutyl acetate 1403.65
    tetrachloromethane 1217.21
    n-pentyl acetate 1607.59
    transcutol 3980.94
    n-heptanol 639.75
    ethylbenzene 843.57
    MIBK 1685.98
    2-propoxyethanol 2171.56
    tert-butanol 1634.98
    MTBE 3075.33
    2-butoxyethanol 990.57
    propionic acid 830.61
    o-xylene 1021.61
    formic acid 154.91
    diethyl ether 3800.98
    m-xylene 1233.56
    p-xylene 1178.99
    chlorobenzene 2599.24
    dimethyl carbonate 715.51
    n-octane 162.97
    formamide 302.04
    cyclopentanone 4547.73
    2-pentanone 2960.62
    anisole 1460.36
    cyclopentyl methyl ether 3267.61
    gamma-butyrolactone 3658.19
    1-methoxy-2-propanol 1405.52
    pyridine 4086.33
    3-pentanone 2246.93
    furfural 2641.58
    n-dodecane 115.25
    diethylene glycol 855.11
    diisopropyl ether 1129.78
    tert-amyl alcohol 1355.68
    acetylacetone 2802.61
    n-hexadecane 141.74
    acetophenone 1249.62
    methyl propionate 1808.58
    isopentyl acetate 3031.0
    trichloroethylene 5951.12
    n-nonanol 592.17
    cyclohexanol 2063.75
    benzyl alcohol 1015.09
    2-ethylhexanol 1148.35
    isooctanol 576.6
    dipropyl ether 1885.81
    1,2-dichlorobenzene 1912.75
    ethyl lactate 425.98
    propylene carbonate 2147.75
    n-methylformamide 975.88
    2-pentanol 1217.6
    n-pentane 448.89
    1-propoxy-2-propanol 1691.5
    1-methoxy-2-propyl acetate 2233.57
    2-(2-methoxypropoxy) propanol 906.71
    mesitylene 797.73
    ε-caprolactone 3529.78
    p-cymene 575.3
    epichlorohydrin 4415.77
    1,1,1-trichloroethane 3907.27
    2-aminoethanol 332.47
    morpholine-4-carbaldehyde 3219.68
    sulfolane 3497.27
    2,2,4-trimethylpentane 230.4
    2-methyltetrahydrofuran 4951.41
    n-hexyl acetate 1847.59
    isooctane 194.38
    2-(2-butoxyethoxy)ethanol 1263.32
    sec-butyl acetate 1280.54
    tert-butyl acetate 2093.28
    decalin 406.92
    glycerin 323.72
    diglyme 2390.28
    acrylic acid 608.47
    isopropyl myristate 726.12
    n-butyric acid 1894.52
    acetyl acetate 1616.21
    di(2-ethylhexyl) phthalate 595.87
    ethyl propionate 1285.55
    nitromethane 1897.39
    1,2-diethoxyethane 3005.64
    benzonitrile 1812.51
    trioctyl phosphate 424.65
    1-bromopropane 2822.25
    gamma-valerolactone 4458.4
    n-decanol 433.89
    triethyl phosphate 560.16
    4-methyl-2-pentanol 740.07
    propionitrile 1602.41
    vinylene carbonate 1743.71
    1,1,2-trichlorotrifluoroethane 1796.85
    DMS 1203.36
    cumene 529.96
    2-octanol 536.45
    2-hexanone 1975.88
    octyl acetate 852.5
    limonene 1096.03
    1,2-dimethoxyethane 3149.34
    ethyl orthosilicate 606.91
    tributyl phosphate 603.28
    diacetone alcohol 1361.35
    N,N-dimethylaniline 934.14
    acrylonitrile 1448.91
    aniline 1749.1
    1,3-propanediol 749.88
    bromobenzene 3150.23
    dibromomethane 3759.77
    1,1,2,2-tetrachloroethane 4755.14
    2-methyl-cyclohexyl acetate 1244.58
    tetrabutyl urea 804.57
    diisobutyl methanol 610.27
    2-phenylethanol 1260.33
    styrene 1291.97
    dioctyl adipate 826.75
    dimethyl sulfate 956.16
    ethyl butyrate 1661.41
    methyl lactate 496.82
    butyl lactate 830.29
    diethyl carbonate 921.14
    propanediol butyl ether 743.86
    triethyl orthoformate 1059.29
    p-tert-butyltoluene 561.44
    methyl 4-tert-butylbenzoate 914.15
    morpholine 4874.09
    tert-butylamine 1282.0
    n-dodecanol 342.11
    dimethoxymethane 2524.23
    ethylene carbonate 1711.39
    cyrene 889.09
    2-ethoxyethyl acetate 1963.03
    2-ethylhexyl acetate 2506.95
    1,2,4-trichlorobenzene 2020.33
    4-methylpyridine 4570.46
    dibutyl ether 1570.04
    2,6-dimethyl-4-heptanol 610.27
    DEF 2980.05
    dimethyl isosorbide 1884.26
    tetrachloroethylene 3083.02
    eugenol 911.51
    triacetin 1159.39
    span 80 930.59
    1,4-butanediol 320.34
    1,1-dichloroethane 4014.64
    2-methyl-1-pentanol 1181.2
    methyl formate 843.3
    2-methyl-1-butanol 1442.66
    n-decane 207.07
    butyronitrile 2258.42
    3,7-dimethyl-1-octanol 739.82
    1-chlorooctane 766.25
    1-chlorotetradecane 303.41
    n-nonane 215.56
    undecane 147.15
    tert-butylcyclohexane 346.44
    cyclooctane 371.67
    cyclopentanol 1629.8
    tetrahydropyran 6018.88
    tert-amyl methyl ether 1861.66
    2,5,8-trioxanonane 1544.14
    1-hexene 1603.09
    2-isopropoxyethanol 928.9
    2,2,2-trifluoroethanol 326.15
    methyl butyrate 1838.6

    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