4-Ethyl-2-octylthiazole

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  • Identifiers

    CAS number
    96693-83-3

    Molecular formula
    C13H23NS

    SMILES
    CCCCCCCCC1=NC(=CS1)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 75.84%
    Vegetable 55.94%
    Meaty 52.38%
    Fatty 52.02%
    Nutty 45.66%
    Roasted 44.88%
    Earthy 36.26%
    Savory 31.48%
    Sulfurous 31.41%
    Herbal 30.52%

     

    Flavor
    Green 64.32%
    Fatty 45.32%
    Herbal 39.12%
    Pepper 35.73%
    Earthy 35.42%
    Mushroom 30.66%
    Fat 29.4%
    Vegetable 28.97%
    Oily 28.35%
    Roasted 28.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.87 (neutral)

    Molecular weight
    225.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    297°C

    Flash point

    • 104.73 ˚C est.

  • Synonyms

    • 4-Ethyl-2-octylthiazole
    • 96693-83-3
    • RefChem:292564
    • SCHEMBL31317623
    • 4-Ethyl-2-octyl-1,3-thiazole
    • DTXSID301313827
    • 96693-83-3

  • Applications

    4-Ethyl-2-octylthiazole (CAS 96693-83-3) has practical applications primarily as a fragrance ingredient and odorant in perfumery and personal care products; it may also serve as an intermediate in the synthesis of other heterocyclic thiazole compounds for pharmaceutical, agrochemical, or specialty chemical applications. In industrial manufacturing, it can be evaluated as a specialty additive or processing aid with odor implications; in polymers or coatings, it may be explored as a fragrance-related additive to modulate scent in molded materials or printed products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1509.81
    methanol 889.99
    isopropanol 1364.12
    water 0.02
    ethyl acetate 3781.68
    n-propanol 1446.52
    acetone 6057.61
    n-butanol 1689.91
    acetonitrile 1647.16
    DMF 3281.89
    toluene 2525.92
    isobutanol 1353.9
    1,4-dioxane 4695.93
    methyl acetate 2489.14
    THF 6707.95
    2-butanone 4411.26
    n-pentanol 1322.25
    sec-butanol 1400.42
    n-hexane 643.72
    ethylene glycol 70.94
    NMP 2532.96
    cyclohexane 1489.87
    DMSO 3232.63
    n-butyl acetate 4605.58
    n-octanol 695.45
    chloroform 6213.17
    n-propyl acetate 3093.25
    acetic acid 867.81
    dichloromethane 6381.94
    cyclohexanone 7152.96
    propylene glycol 195.94
    isopropyl acetate 2785.71
    DMAc 2663.07
    2-ethoxyethanol 1470.3
    isopentanol 1762.41
    n-heptane 495.23
    ethyl formate 1445.04
    1,2-dichloroethane 5153.61
    n-hexanol 1795.11
    2-methoxyethanol 1885.66
    isobutyl acetate 2014.64
    tetrachloromethane 1284.84
    n-pentyl acetate 2171.1
    transcutol 5109.52
    n-heptanol 651.56
    ethylbenzene 989.22
    MIBK 2305.92
    2-propoxyethanol 2297.94
    tert-butanol 1676.18
    MTBE 3859.77
    2-butoxyethanol 1117.26
    propionic acid 818.33
    o-xylene 1076.85
    formic acid 81.53
    diethyl ether 5123.44
    m-xylene 1235.21
    p-xylene 1314.13
    chlorobenzene 2691.39
    dimethyl carbonate 665.04
    n-octane 183.11
    formamide 184.14
    cyclopentanone 5276.5
    2-pentanone 4443.5
    anisole 1598.89
    cyclopentyl methyl ether 3937.56
    gamma-butyrolactone 3745.05
    1-methoxy-2-propanol 1619.64
    pyridine 4320.69
    3-pentanone 3121.38
    furfural 2423.65
    n-dodecane 110.77
    diethylene glycol 772.81
    diisopropyl ether 1374.85
    tert-amyl alcohol 1461.26
    acetylacetone 3566.25
    n-hexadecane 137.28
    acetophenone 1521.79
    methyl propionate 2294.11
    isopentyl acetate 3488.93
    trichloroethylene 7275.19
    n-nonanol 626.79
    cyclohexanol 2199.54
    benzyl alcohol 1083.59
    2-ethylhexanol 1317.4
    isooctanol 607.59
    dipropyl ether 2772.28
    1,2-dichlorobenzene 2074.62
    ethyl lactate 512.55
    propylene carbonate 2153.0
    n-methylformamide 824.45
    2-pentanol 1362.62
    n-pentane 511.31
    1-propoxy-2-propanol 1976.53
    1-methoxy-2-propyl acetate 2583.21
    2-(2-methoxypropoxy) propanol 890.29
    mesitylene 771.73
    ε-caprolactone 4145.84
    p-cymene 648.66
    epichlorohydrin 5074.78
    1,1,1-trichloroethane 4703.67
    2-aminoethanol 266.11
    morpholine-4-carbaldehyde 2715.14
    sulfolane 3634.84
    2,2,4-trimethylpentane 220.46
    2-methyltetrahydrofuran 5728.08
    n-hexyl acetate 2235.84
    isooctane 181.73
    2-(2-butoxyethoxy)ethanol 1368.65
    sec-butyl acetate 1951.54
    tert-butyl acetate 2602.38
    decalin 436.35
    glycerin 234.72
    diglyme 2914.94
    acrylic acid 520.89
    isopropyl myristate 767.75
    n-butyric acid 2137.71
    acetyl acetate 1837.13
    di(2-ethylhexyl) phthalate 550.89
    ethyl propionate 1969.6
    nitromethane 1784.94
    1,2-diethoxyethane 4036.99
    benzonitrile 1733.83
    trioctyl phosphate 412.3
    1-bromopropane 4046.75
    gamma-valerolactone 4708.64
    n-decanol 442.6
    triethyl phosphate 643.1
    4-methyl-2-pentanol 780.01
    propionitrile 1725.75
    vinylene carbonate 1604.74
    1,1,2-trichlorotrifluoroethane 1974.83
    DMS 1237.74
    cumene 584.47
    2-octanol 553.65
    2-hexanone 3187.13
    octyl acetate 917.62
    limonene 1281.29
    1,2-dimethoxyethane 4075.64
    ethyl orthosilicate 702.58
    tributyl phosphate 588.62
    diacetone alcohol 1560.33
    N,N-dimethylaniline 943.77
    acrylonitrile 1434.72
    aniline 1733.67
    1,3-propanediol 671.99
    bromobenzene 3321.65
    dibromomethane 4764.15
    1,1,2,2-tetrachloroethane 5801.39
    2-methyl-cyclohexyl acetate 1396.86
    tetrabutyl urea 805.51
    diisobutyl methanol 682.27
    2-phenylethanol 1200.64
    styrene 1476.24
    dioctyl adipate 932.82
    dimethyl sulfate 894.23
    ethyl butyrate 2445.86
    methyl lactate 493.33
    butyl lactate 1005.08
    diethyl carbonate 1159.46
    propanediol butyl ether 781.85
    triethyl orthoformate 1449.64
    p-tert-butyltoluene 596.25
    methyl 4-tert-butylbenzoate 916.28
    morpholine 5012.0
    tert-butylamine 1232.21
    n-dodecanol 349.19
    dimethoxymethane 2689.02
    ethylene carbonate 1744.8
    cyrene 823.8
    2-ethoxyethyl acetate 2413.67
    2-ethylhexyl acetate 2913.14
    1,2,4-trichlorobenzene 2133.09
    4-methylpyridine 4823.92
    dibutyl ether 2089.12
    2,6-dimethyl-4-heptanol 682.27
    DEF 3563.77
    dimethyl isosorbide 1731.83
    tetrachloroethylene 3688.08
    eugenol 836.23
    triacetin 1372.68
    span 80 931.42
    1,4-butanediol 311.05
    1,1-dichloroethane 5114.83
    2-methyl-1-pentanol 1293.51
    methyl formate 689.56
    2-methyl-1-butanol 1512.8
    n-decane 220.57
    butyronitrile 2748.87
    3,7-dimethyl-1-octanol 777.42
    1-chlorooctane 873.86
    1-chlorotetradecane 321.36
    n-nonane 230.8
    undecane 147.94
    tert-butylcyclohexane 341.58
    cyclooctane 415.37
    cyclopentanol 1683.77
    tetrahydropyran 7317.66
    tert-amyl methyl ether 2201.05
    2,5,8-trioxanonane 1604.7
    1-hexene 2304.61
    2-isopropoxyethanol 1185.36
    2,2,2-trifluoroethanol 223.28
    methyl butyrate 3060.27

    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