4-Ethyl-2-hexylthiazole

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  • Identifiers

    CAS number
    96693-85-5

    Molecular formula
    C11H19NS

    SMILES
    CCCCCCC1=NC(=CS1)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 84.87%
    Vegetable 63.46%
    Meaty 49.68%
    Nutty 47.85%
    Roasted 44.35%
    Fatty 44.05%
    Earthy 38.35%
    Herbal 35.0%
    Tropical 33.59%
    Fruity 33.55%

     

    Flavor
    Green 82.22%
    Herbal 46.02%
    Fatty 44.94%
    Earthy 43.71%
    Pepper 43.02%
    Vegetable 39.0%
    Nutty 34.58%
    Mushroom 32.9%
    Fruity 32.58%
    Roasted 31.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    6.69 (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

    • 94.62 ˚C est.

  • Synonyms

    • 4-Ethyl-2-hexylthiazole
    • 4-ethyl-2-hexyl-1,3-thiazole
    • 4-ethyl-2-hexyl-thiazole
    • 96693-85-5
    • GEAVQUKRDITJTP-UHFFFAOYSA-N
    • DTXSID601313957
    • AKOS006320592
    • 96693-85-5

  • Applications

    4-Ethyl-2-hexylthiazole (CAS number: 96693-85-5) is typically used as an odorant and fragrance ingredient in perfumery and cosmetics/personal care, where it can function as a fragrance component and may act as a fixative to help extend scent. It is also employed in household products such as cleaners and air fresheners to impart or enhance a desirable aroma. In coatings, paints, and inks, the compound may be added as a fragrance constituent within scent-enabled formulations. It is also used as a synthetic intermediate for the preparation of other fragrance compounds or specialty chemicals in industrial manufacturing. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1762.23
    methanol 1287.42
    isopropanol 1467.43
    water 0.04
    ethyl acetate 3862.49
    n-propanol 1521.91
    acetone 7115.5
    n-butanol 1799.87
    acetonitrile 2186.37
    DMF 5271.68
    toluene 2556.08
    isobutanol 1447.66
    1,4-dioxane 5034.05
    methyl acetate 2710.02
    THF 6557.68
    2-butanone 4620.75
    n-pentanol 1361.33
    sec-butanol 1381.1
    n-hexane 564.03
    ethylene glycol 146.83
    NMP 3497.36
    cyclohexane 1060.35
    DMSO 4732.39
    n-butyl acetate 4464.89
    n-octanol 653.34
    chloroform 6525.33
    n-propyl acetate 2613.68
    acetic acid 1260.91
    dichloromethane 6661.31
    cyclohexanone 6921.74
    propylene glycol 299.42
    isopropyl acetate 2688.79
    DMAc 3407.91
    2-ethoxyethanol 1633.32
    isopentanol 1838.53
    n-heptane 325.16
    ethyl formate 1571.17
    1,2-dichloroethane 5742.25
    n-hexanol 1834.85
    2-methoxyethanol 2575.3
    isobutyl acetate 1861.08
    tetrachloromethane 1244.34
    n-pentyl acetate 1885.08
    transcutol 5940.85
    n-heptanol 613.54
    ethylbenzene 938.82
    MIBK 2272.73
    2-propoxyethanol 2602.8
    tert-butanol 1802.22
    MTBE 3751.79
    2-butoxyethanol 1132.16
    propionic acid 1043.4
    o-xylene 1043.22
    formic acid 168.48
    diethyl ether 4852.55
    m-xylene 1254.63
    p-xylene 1268.19
    chlorobenzene 2956.39
    dimethyl carbonate 922.63
    n-octane 130.11
    formamide 347.7
    cyclopentanone 5733.6
    2-pentanone 4487.93
    anisole 1666.42
    cyclopentyl methyl ether 3671.94
    gamma-butyrolactone 4252.21
    1-methoxy-2-propanol 1994.46
    pyridine 4732.79
    3-pentanone 3098.85
    furfural 3146.95
    n-dodecane 89.76
    diethylene glycol 1105.06
    diisopropyl ether 1227.64
    tert-amyl alcohol 1499.88
    acetylacetone 4156.23
    n-hexadecane 112.82
    acetophenone 1534.89
    methyl propionate 2538.46
    isopentyl acetate 3463.75
    trichloroethylene 8564.35
    n-nonanol 588.33
    cyclohexanol 2092.59
    benzyl alcohol 1213.08
    2-ethylhexanol 1203.74
    isooctanol 544.9
    dipropyl ether 2267.67
    1,2-dichlorobenzene 2179.17
    ethyl lactate 551.2
    propylene carbonate 2348.12
    n-methylformamide 1307.15
    2-pentanol 1353.65
    n-pentane 430.18
    1-propoxy-2-propanol 2062.23
    1-methoxy-2-propyl acetate 2679.75
    2-(2-methoxypropoxy) propanol 987.33
    mesitylene 756.19
    ε-caprolactone 4096.79
    p-cymene 572.34
    epichlorohydrin 5610.59
    1,1,1-trichloroethane 4704.14
    2-aminoethanol 406.16
    morpholine-4-carbaldehyde 3466.91
    sulfolane 4392.27
    2,2,4-trimethylpentane 200.85
    2-methyltetrahydrofuran 5401.53
    n-hexyl acetate 2067.09
    isooctane 171.61
    2-(2-butoxyethoxy)ethanol 1457.63
    sec-butyl acetate 1725.52
    tert-butyl acetate 2543.38
    decalin 367.53
    glycerin 404.24
    diglyme 2946.33
    acrylic acid 778.45
    isopropyl myristate 702.97
    n-butyric acid 2380.72
    acetyl acetate 2007.33
    di(2-ethylhexyl) phthalate 568.2
    ethyl propionate 1779.84
    nitromethane 2599.27
    1,2-diethoxyethane 3975.21
    benzonitrile 1987.77
    trioctyl phosphate 405.93
    1-bromopropane 3799.8
    gamma-valerolactone 5435.2
    n-decanol 425.94
    triethyl phosphate 595.62
    4-methyl-2-pentanol 782.21
    propionitrile 1918.91
    vinylene carbonate 1862.7
    1,1,2-trichlorotrifluoroethane 2463.43
    DMS 1389.56
    cumene 551.6
    2-octanol 481.04
    2-hexanone 2993.76
    octyl acetate 862.24
    limonene 1077.32
    1,2-dimethoxyethane 4233.78
    ethyl orthosilicate 646.79
    tributyl phosphate 605.72
    diacetone alcohol 1674.76
    N,N-dimethylaniline 987.21
    acrylonitrile 1861.14
    aniline 1999.66
    1,3-propanediol 913.77
    bromobenzene 3645.29
    dibromomethane 4842.61
    1,1,2,2-tetrachloroethane 6293.3
    2-methyl-cyclohexyl acetate 1285.96
    tetrabutyl urea 827.03
    diisobutyl methanol 625.82
    2-phenylethanol 1344.69
    styrene 1491.47
    dioctyl adipate 880.27
    dimethyl sulfate 1291.54
    ethyl butyrate 2053.32
    methyl lactate 620.62
    butyl lactate 1003.48
    diethyl carbonate 1058.72
    propanediol butyl ether 913.4
    triethyl orthoformate 1253.12
    p-tert-butyltoluene 540.46
    methyl 4-tert-butylbenzoate 907.84
    morpholine 5426.47
    tert-butylamine 1260.07
    n-dodecanol 328.12
    dimethoxymethane 3454.09
    ethylene carbonate 1896.78
    cyrene 886.68
    2-ethoxyethyl acetate 2384.01
    2-ethylhexyl acetate 2830.75
    1,2,4-trichlorobenzene 2326.81
    4-methylpyridine 5410.7
    dibutyl ether 1823.78
    2,6-dimethyl-4-heptanol 625.82
    DEF 3922.44
    dimethyl isosorbide 1835.9
    tetrachloroethylene 4017.57
    eugenol 913.79
    triacetin 1348.04
    span 80 983.52
    1,4-butanediol 405.79
    1,1-dichloroethane 5272.06
    2-methyl-1-pentanol 1318.04
    methyl formate 1097.2
    2-methyl-1-butanol 1600.14
    n-decane 167.02
    butyronitrile 2859.6
    3,7-dimethyl-1-octanol 739.08
    1-chlorooctane 763.75
    1-chlorotetradecane 288.01
    n-nonane 167.9
    undecane 117.76
    tert-butylcyclohexane 307.42
    cyclooctane 303.44
    cyclopentanol 1684.73
    tetrahydropyran 6653.45
    tert-amyl methyl ether 2087.58
    2,5,8-trioxanonane 1678.63
    1-hexene 2046.99
    2-isopropoxyethanol 1237.61
    2,2,2-trifluoroethanol 354.14
    methyl butyrate 2688.48

    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