4-Ethyl-2-pentylthiazole

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  • Identifiers

    CAS number
    96693-88-8

    Molecular formula
    C10H17NS

    SMILES
    CCCCCC1=NC(=CS1)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 88.13%
    Vegetable 66.16%
    Nutty 48.02%
    Meaty 46.54%
    Roasted 43.24%
    Fruity 40.97%
    Fatty 38.83%
    Earthy 38.52%
    Tropical 36.77%
    Herbal 36.1%

     

    Flavor
    Green 86.9%
    Earthy 46.1%
    Herbal 45.81%
    Pepper 44.54%
    Fatty 44.41%
    Vegetable 43.52%
    Nutty 39.92%
    Fruity 34.13%
    Roasted 33.19%
    Raw 33.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.72 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point

    • 86.88 ˚C est.

  • Synonyms

    • 4-Ethyl-2-pentylthiazole
    • 4-ethyl-2-pentyl-1,3-thiazole
    • 4-methyl-2-pentyl-thiazole
    • 96693-88-8
    • SCHEMBL2821735
    • ZHOPDZKIOONDFF-UHFFFAOYSA-N
    • DTXSID401312846
    • AKOS006370746
    • 96693-88-8

  • Applications

    4-Ethyl-2-pentylthiazole (CAS 96693-88-8) is primarily used as an aroma compound in perfumery and cosmetics, serving as a fragrance ingredient and contributing to the odor profile of formulations. It is also regarded as an intermediate or building block in industrial manufacturing, enabling the synthesis of pharmaceutical and agrochemical compounds. As a thiazole-containing heterocycle, it may function as a precursor for the development of other thiazole-based substances used in specialty chemicals. In polymer science and materials research, it can act as a starting material for thiazole-containing polymers or functional coatings, depending on formulation and regulatory considerations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1459.9
    methanol 1082.42
    isopropanol 1138.73
    water 0.07
    ethyl acetate 2464.54
    n-propanol 1199.85
    acetone 4278.75
    n-butanol 1393.61
    acetonitrile 1353.94
    DMF 3416.35
    toluene 1887.25
    isobutanol 1143.69
    1,4-dioxane 3703.25
    methyl acetate 1717.55
    THF 4828.42
    2-butanone 2687.64
    n-pentanol 1097.28
    sec-butanol 1075.45
    n-hexane 460.18
    ethylene glycol 131.8
    NMP 2411.11
    cyclohexane 923.72
    DMSO 2943.87
    n-butyl acetate 3220.28
    n-octanol 606.8
    chloroform 5008.38
    n-propyl acetate 1681.78
    acetic acid 1060.93
    dichloromethane 4857.14
    cyclohexanone 4465.43
    propylene glycol 256.95
    isopropyl acetate 1803.69
    DMAc 2167.96
    2-ethoxyethanol 1151.41
    isopentanol 1404.52
    n-heptane 321.11
    ethyl formate 1125.7
    1,2-dichloroethane 3738.87
    n-hexanol 1628.45
    2-methoxyethanol 1757.7
    isobutyl acetate 1264.07
    tetrachloromethane 923.41
    n-pentyl acetate 1285.36
    transcutol 4036.23
    n-heptanol 545.21
    ethylbenzene 695.25
    MIBK 1471.74
    2-propoxyethanol 1955.79
    tert-butanol 1372.9
    MTBE 2306.01
    2-butoxyethanol 860.37
    propionic acid 765.8
    o-xylene 753.45
    formic acid 150.64
    diethyl ether 3123.82
    m-xylene 943.8
    p-xylene 944.43
    chlorobenzene 2153.92
    dimethyl carbonate 587.01
    n-octane 132.43
    formamide 264.42
    cyclopentanone 3777.31
    2-pentanone 2769.04
    anisole 1144.28
    cyclopentyl methyl ether 2457.31
    gamma-butyrolactone 2880.23
    1-methoxy-2-propanol 1408.87
    pyridine 3364.11
    3-pentanone 1856.81
    furfural 2214.55
    n-dodecane 100.19
    diethylene glycol 916.44
    diisopropyl ether 819.94
    tert-amyl alcohol 1103.46
    acetylacetone 2649.37
    n-hexadecane 120.56
    acetophenone 1073.17
    methyl propionate 1581.48
    isopentyl acetate 2524.88
    trichloroethylene 5868.51
    n-nonanol 535.26
    cyclohexanol 1632.9
    benzyl alcohol 915.66
    2-ethylhexanol 1031.03
    isooctanol 454.9
    dipropyl ether 1659.03
    1,2-dichlorobenzene 1539.93
    ethyl lactate 383.68
    propylene carbonate 1756.49
    n-methylformamide 869.89
    2-pentanol 1008.14
    n-pentane 361.06
    1-propoxy-2-propanol 1566.05
    1-methoxy-2-propyl acetate 1899.06
    2-(2-methoxypropoxy) propanol 785.06
    mesitylene 564.21
    ε-caprolactone 2797.04
    p-cymene 461.07
    epichlorohydrin 3646.78
    1,1,1-trichloroethane 3156.8
    2-aminoethanol 326.47
    morpholine-4-carbaldehyde 2432.52
    sulfolane 2796.8
    2,2,4-trimethylpentane 163.65
    2-methyltetrahydrofuran 3685.53
    n-hexyl acetate 1522.56
    isooctane 144.07
    2-(2-butoxyethoxy)ethanol 1148.4
    sec-butyl acetate 1122.88
    tert-butyl acetate 1659.55
    decalin 302.87
    glycerin 344.94
    diglyme 2125.46
    acrylic acid 574.1
    isopropyl myristate 555.9
    n-butyric acid 1773.59
    acetyl acetate 1435.03
    di(2-ethylhexyl) phthalate 474.91
    ethyl propionate 1124.29
    nitromethane 1710.04
    1,2-diethoxyethane 2674.18
    benzonitrile 1498.62
    trioctyl phosphate 339.05
    1-bromopropane 2580.17
    gamma-valerolactone 3623.85
    n-decanol 389.75
    triethyl phosphate 451.67
    4-methyl-2-pentanol 599.9
    propionitrile 1236.58
    vinylene carbonate 1433.37
    1,1,2-trichlorotrifluoroethane 1630.27
    DMS 994.12
    cumene 414.25
    2-octanol 428.15
    2-hexanone 1882.27
    octyl acetate 672.86
    limonene 858.54
    1,2-dimethoxyethane 2899.44
    ethyl orthosilicate 489.93
    tributyl phosphate 475.24
    diacetone alcohol 1150.26
    N,N-dimethylaniline 726.52
    acrylonitrile 1179.84
    aniline 1430.35
    1,3-propanediol 731.5
    bromobenzene 2637.85
    dibromomethane 3609.96
    1,1,2,2-tetrachloroethane 4347.56
    2-methyl-cyclohexyl acetate 981.22
    tetrabutyl urea 631.88
    diisobutyl methanol 515.12
    2-phenylethanol 1082.01
    styrene 1094.09
    dioctyl adipate 695.17
    dimethyl sulfate 804.55
    ethyl butyrate 1468.94
    methyl lactate 447.39
    butyl lactate 744.39
    diethyl carbonate 791.94
    propanediol butyl ether 733.56
    triethyl orthoformate 953.15
    p-tert-butyltoluene 435.34
    methyl 4-tert-butylbenzoate 678.95
    morpholine 3772.28
    tert-butylamine 990.57
    n-dodecanol 304.85
    dimethoxymethane 2239.91
    ethylene carbonate 1434.74
    cyrene 688.71
    2-ethoxyethyl acetate 1607.11
    2-ethylhexyl acetate 2016.51
    1,2,4-trichlorobenzene 1598.04
    4-methylpyridine 3794.47
    dibutyl ether 1379.23
    2,6-dimethyl-4-heptanol 515.12
    DEF 2484.03
    dimethyl isosorbide 1445.1
    tetrachloroethylene 2771.69
    eugenol 730.91
    triacetin 996.8
    span 80 821.95
    1,4-butanediol 336.62
    1,1-dichloroethane 3609.6
    2-methyl-1-pentanol 1041.59
    methyl formate 772.52
    2-methyl-1-butanol 1216.48
    n-decane 176.39
    butyronitrile 1991.83
    3,7-dimethyl-1-octanol 637.92
    1-chlorooctane 636.08
    1-chlorotetradecane 250.69
    n-nonane 182.02
    undecane 128.27
    tert-butylcyclohexane 252.99
    cyclooctane 266.03
    cyclopentanol 1316.06
    tetrahydropyran 4630.65
    tert-amyl methyl ether 1314.79
    2,5,8-trioxanonane 1365.54
    1-hexene 1503.07
    2-isopropoxyethanol 912.23
    2,2,2-trifluoroethanol 271.65
    methyl butyrate 1704.85

    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