4-Ethyl-2-heptylthiazole

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  • Identifiers

    CAS number
    96693-84-4

    Molecular formula
    C12H21NS

    SMILES
    CCCCCCCC1=NC(=CS1)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 80.79%
    Vegetable 60.01%
    Meaty 51.34%
    Fatty 48.59%
    Nutty 47.02%
    Roasted 44.78%
    Earthy 37.71%
    Herbal 32.78%
    Sulfurous 32.02%
    Tropical 31.23%

     

    Flavor
    Green 74.5%
    Fatty 45.84%
    Herbal 43.25%
    Earthy 39.83%
    Pepper 39.63%
    Vegetable 34.0%
    Mushroom 32.31%
    Nutty 31.03%
    Roasted 30.29%
    Fruity 30.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    6.85 (neutral)

    Molecular weight
    211.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    280°C

    Flash point

    • 99.13 ˚C est.

  • Synonyms

    • 4-ethyl-2-heptyl-1,3-thiazole
    • 4-Ethyl-2-heptylthiazole
    • 4-ethyl-2-heptyl-thiazole
    • CHEBI:177674
    • JZJXNTRMKYXHRJ-UHFFFAOYSA-N
    • DTXSID701313374
    • 96693-84-4
    • 96693-84-4

  • Applications

    4-Ethyl-2-heptylthiazole (CAS 96693-84-4) is a thiazole-based compound with a distinct odor that is typically used as an odorant in fragrance and cosmetic formulations, where it functions as a fragrance ingredient and may serve as a scent modulator or minor fixative to help retain aroma. It can also be encountered as a fragrance additive in household products such as cleaners and air fresheners. In industrial manufacturing, the compound is commonly evaluated as an intermediate or building block for synthesis of more specialized chemicals used in pharmaceuticals or crop protection. Additionally, it may be employed in coatings and inks as a specialty odorant additive or chemical intermediate contributing to product identity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1627.3
    methanol 1055.43
    isopropanol 1388.22
    water 0.02
    ethyl acetate 3654.15
    n-propanol 1456.71
    acetone 6251.86
    n-butanol 1701.8
    acetonitrile 1798.46
    DMF 3693.47
    toluene 2409.1
    isobutanol 1357.51
    1,4-dioxane 4606.52
    methyl acetate 2485.88
    THF 6287.38
    2-butanone 4262.82
    n-pentanol 1338.58
    sec-butanol 1366.83
    n-hexane 568.2
    ethylene glycol 93.25
    NMP 2550.76
    cyclohexane 1200.05
    DMSO 3666.39
    n-butyl acetate 4455.82
    n-octanol 676.66
    chloroform 6059.44
    n-propyl acetate 2786.62
    acetic acid 967.05
    dichloromethane 6330.41
    cyclohexanone 6525.97
    propylene glycol 233.44
    isopropyl acetate 2622.06
    DMAc 2635.74
    2-ethoxyethanol 1492.06
    isopentanol 1710.77
    n-heptane 407.94
    ethyl formate 1460.48
    1,2-dichloroethane 5069.3
    n-hexanol 1840.41
    2-methoxyethanol 2055.99
    isobutyl acetate 1858.56
    tetrachloromethane 1172.18
    n-pentyl acetate 1949.96
    transcutol 5344.93
    n-heptanol 621.62
    ethylbenzene 918.69
    MIBK 2165.2
    2-propoxyethanol 2393.66
    tert-butanol 1666.91
    MTBE 3577.9
    2-butoxyethanol 1081.54
    propionic acid 855.17
    o-xylene 991.7
    formic acid 104.63
    diethyl ether 4789.94
    m-xylene 1185.18
    p-xylene 1222.43
    chlorobenzene 2646.77
    dimethyl carbonate 702.19
    n-octane 159.6
    formamide 224.97
    cyclopentanone 4995.05
    2-pentanone 4206.67
    anisole 1515.82
    cyclopentyl methyl ether 3542.79
    gamma-butyrolactone 3632.32
    1-methoxy-2-propanol 1695.7
    pyridine 4217.83
    3-pentanone 2916.01
    furfural 2463.83
    n-dodecane 104.49
    diethylene glycol 884.32
    diisopropyl ether 1236.21
    tert-amyl alcohol 1411.79
    acetylacetone 3602.09
    n-hexadecane 129.67
    acetophenone 1426.61
    methyl propionate 2265.98
    isopentyl acetate 3365.79
    trichloroethylene 7249.53
    n-nonanol 604.36
    cyclohexanol 2057.74
    benzyl alcohol 1075.69
    2-ethylhexanol 1248.86
    isooctanol 564.13
    dipropyl ether 2475.89
    1,2-dichlorobenzene 1960.57
    ethyl lactate 497.59
    propylene carbonate 2077.49
    n-methylformamide 935.74
    2-pentanol 1306.69
    n-pentane 445.27
    1-propoxy-2-propanol 2005.96
    1-methoxy-2-propyl acetate 2522.11
    2-(2-methoxypropoxy) propanol 908.67
    mesitylene 719.75
    ε-caprolactone 3842.96
    p-cymene 596.09
    epichlorohydrin 4965.02
    1,1,1-trichloroethane 4393.72
    2-aminoethanol 310.05
    morpholine-4-carbaldehyde 2759.54
    sulfolane 3591.41
    2,2,4-trimethylpentane 197.09
    2-methyltetrahydrofuran 5213.27
    n-hexyl acetate 2091.04
    isooctane 167.74
    2-(2-butoxyethoxy)ethanol 1370.7
    sec-butyl acetate 1757.67
    tert-butyl acetate 2433.78
    decalin 384.39
    glycerin 284.77
    diglyme 2808.48
    acrylic acid 568.59
    isopropyl myristate 714.95
    n-butyric acid 2109.23
    acetyl acetate 1826.24
    di(2-ethylhexyl) phthalate 539.77
    ethyl propionate 1768.0
    nitromethane 1951.18
    1,2-diethoxyethane 3951.12
    benzonitrile 1747.67
    trioctyl phosphate 398.69
    1-bromopropane 3752.99
    gamma-valerolactone 4544.44
    n-decanol 435.97
    triethyl phosphate 589.74
    4-methyl-2-pentanol 742.12
    propionitrile 1727.68
    vinylene carbonate 1591.3
    1,1,2-trichlorotrifluoroethane 1980.67
    DMS 1239.08
    cumene 533.71
    2-octanol 520.78
    2-hexanone 2949.11
    octyl acetate 871.51
    limonene 1146.85
    1,2-dimethoxyethane 4002.95
    ethyl orthosilicate 642.12
    tributyl phosphate 570.83
    diacetone alcohol 1494.93
    N,N-dimethylaniline 897.73
    acrylonitrile 1510.67
    aniline 1730.1
    1,3-propanediol 738.96
    bromobenzene 3245.88
    dibromomethane 4596.46
    1,1,2,2-tetrachloroethane 5629.97
    2-methyl-cyclohexyl acetate 1289.74
    tetrabutyl urea 778.55
    diisobutyl methanol 634.15
    2-phenylethanol 1215.88
    styrene 1406.17
    dioctyl adipate 883.59
    dimethyl sulfate 939.66
    ethyl butyrate 2206.81
    methyl lactate 509.14
    butyl lactate 966.58
    diethyl carbonate 1074.7
    propanediol butyl ether 818.15
    triethyl orthoformate 1301.2
    p-tert-butyltoluene 550.02
    methyl 4-tert-butylbenzoate 854.3
    morpholine 4856.0
    tert-butylamine 1189.2
    n-dodecanol 340.27
    dimethoxymethane 2815.61
    ethylene carbonate 1682.07
    cyrene 808.03
    2-ethoxyethyl acetate 2295.21
    2-ethylhexyl acetate 2750.71
    1,2,4-trichlorobenzene 2033.47
    4-methylpyridine 4746.58
    dibutyl ether 1921.83
    2,6-dimethyl-4-heptanol 634.15
    DEF 3407.92
    dimethyl isosorbide 1703.28
    tetrachloroethylene 3563.57
    eugenol 828.69
    triacetin 1306.19
    span 80 928.36
    1,4-butanediol 345.52
    1,1-dichloroethane 4913.91
    2-methyl-1-pentanol 1284.6
    methyl formate 789.75
    2-methyl-1-butanol 1468.87
    n-decane 199.93
    butyronitrile 2716.55
    3,7-dimethyl-1-octanol 743.09
    1-chlorooctane 801.82
    1-chlorotetradecane 303.69
    n-nonane 206.89
    undecane 138.39
    tert-butylcyclohexane 305.95
    cyclooctane 344.57
    cyclopentanol 1576.32
    tetrahydropyran 6673.95
    tert-amyl methyl ether 2011.67
    2,5,8-trioxanonane 1598.26
    1-hexene 2134.95
    2-isopropoxyethanol 1184.88
    2,2,2-trifluoroethanol 242.96
    methyl butyrate 2736.57

    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