4-Ethyl-2-heptyl-5-methylthiazole

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  • Identifiers

    CAS number
    87262-51-9

    Molecular formula
    C13H23NS

    SMILES
    CCCCCCCC1=NC(=C(S1)C)CC

    Safety labels

  • Odor profile

    Fragrance
    Green 66.47%
    Roasted 53.06%
    Meaty 50.56%
    Nutty 49.94%
    Vegetable 47.31%
    Fatty 39.31%
    Earthy 38.97%
    Fruity 36.14%
    Burnt 32.98%
    Savory 29.98%

     

    Flavor
    Green 55.63%
    Earthy 39.21%
    Herbal 38.31%
    Pepper 36.34%
    Fatty 33.67%
    Roasted 32.8%
    Vegetable 27.63%
    Nutty 27.18%
    Musty 26.8%
    Meaty 26.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.56 (neutral)

    Molecular weight
    225.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 99.97 ˚C est.

  • Synonyms

    • 4-Ethyl-2-heptyl-5-methylthiazole
    • 87262-51-9
    • DTXSID50826474
    • SSLICXPSYONSAZ-UHFFFAOYSA-N
    • 2-heptyl-4-ethyl-5-methylthiazole
    • 4-ethyl-2-heptyl-5-methyl-thiazole
    • 4-ETHYL-2-HEPTYL-5-METHYL-1,3-THIAZOLE
    • 87262-51-9

  • Applications

    4-Ethyl-2-heptyl-5-methylthiazole (CAS 87262-51-9) is a hydrophobic thiazole derivative that can act as an aroma-related compound with potential fragrance notes. In perfumery and cosmetics/personal care, it may function as an odorant or fragrance ingredient in formulations. In household products, it may be used as a fragrance component in cleaners and air fresheners. In the flavor/aroma sector, it may be evaluated for inclusion as a flavor or aroma additive, subject to regulatory approvals. In industrial manufacturing, it can serve as a synthetic intermediate for the preparation of other heterocyclic compounds used in pharmaceutical and agrochemical synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2329.3
    methanol 1651.55
    isopropanol 2126.37
    water 0.06
    ethyl acetate 5785.74
    n-propanol 2235.31
    acetone 7929.62
    n-butanol 2609.36
    acetonitrile 2999.03
    DMF 5555.75
    toluene 3756.56
    isobutanol 2237.78
    1,4-dioxane 6810.08
    methyl acetate 3766.85
    THF 9194.6
    2-butanone 6036.99
    n-pentanol 2062.81
    sec-butanol 2289.66
    n-hexane 977.25
    ethylene glycol 112.57
    NMP 3979.1
    cyclohexane 1961.19
    DMSO 3471.42
    n-butyl acetate 8092.61
    n-octanol 1120.39
    chloroform 8803.73
    n-propyl acetate 4313.08
    acetic acid 1400.59
    dichloromethane 8882.35
    cyclohexanone 9732.34
    propylene glycol 274.44
    isopropyl acetate 4375.2
    DMAc 3953.83
    2-ethoxyethanol 2187.77
    isopentanol 2865.44
    n-heptane 705.15
    ethyl formate 2278.75
    1,2-dichloroethane 6853.18
    n-hexanol 3099.91
    2-methoxyethanol 2818.46
    isobutyl acetate 3091.66
    tetrachloromethane 2005.7
    n-pentyl acetate 3737.45
    transcutol 6752.98
    n-heptanol 1144.05
    ethylbenzene 1572.73
    MIBK 3545.79
    2-propoxyethanol 3787.07
    tert-butanol 2699.8
    MTBE 6268.05
    2-butoxyethanol 1776.73
    propionic acid 1248.49
    o-xylene 1657.73
    formic acid 156.84
    diethyl ether 7530.5
    m-xylene 2027.74
    p-xylene 2109.54
    chlorobenzene 3974.73
    dimethyl carbonate 1140.38
    n-octane 292.16
    formamide 340.31
    cyclopentanone 7210.7
    2-pentanone 6119.18
    anisole 2501.89
    cyclopentyl methyl ether 5459.0
    gamma-butyrolactone 5598.84
    1-methoxy-2-propanol 2452.28
    pyridine 5720.35
    3-pentanone 4436.32
    furfural 3613.85
    n-dodecane 175.77
    diethylene glycol 1152.87
    diisopropyl ether 2276.92
    tert-amyl alcohol 2434.05
    acetylacetone 4996.83
    n-hexadecane 218.51
    acetophenone 2217.5
    methyl propionate 3412.78
    isopentyl acetate 6321.36
    trichloroethylene 9832.18
    n-nonanol 993.74
    cyclohexanol 3385.93
    benzyl alcohol 1639.25
    2-ethylhexanol 2162.57
    isooctanol 1034.0
    dipropyl ether 4064.59
    1,2-dichlorobenzene 2983.77
    ethyl lactate 746.5
    propylene carbonate 3227.63
    n-methylformamide 1500.25
    2-pentanol 2210.87
    n-pentane 766.68
    1-propoxy-2-propanol 3131.26
    1-methoxy-2-propyl acetate 4227.17
    2-(2-methoxypropoxy) propanol 1368.87
    mesitylene 1303.85
    ε-caprolactone 6126.88
    p-cymene 1020.33
    epichlorohydrin 7174.21
    1,1,1-trichloroethane 6545.37
    2-aminoethanol 406.99
    morpholine-4-carbaldehyde 4190.27
    sulfolane 4635.89
    2,2,4-trimethylpentane 383.45
    2-methyltetrahydrofuran 8238.68
    n-hexyl acetate 3847.25
    isooctane 336.51
    2-(2-butoxyethoxy)ethanol 1985.69
    sec-butyl acetate 3020.09
    tert-butyl acetate 4287.9
    decalin 676.6
    glycerin 335.53
    diglyme 4067.0
    acrylic acid 808.03
    isopropyl myristate 1215.64
    n-butyric acid 3272.6
    acetyl acetate 2848.96
    di(2-ethylhexyl) phthalate 869.61
    ethyl propionate 2869.37
    nitromethane 2821.34
    1,2-diethoxyethane 6061.99
    benzonitrile 2861.68
    trioctyl phosphate 666.75
    1-bromopropane 5381.75
    gamma-valerolactone 6965.33
    n-decanol 699.57
    triethyl phosphate 961.32
    4-methyl-2-pentanol 1330.71
    propionitrile 2977.57
    vinylene carbonate 2491.95
    1,1,2-trichlorotrifluoroethane 2657.11
    DMS 1981.0
    cumene 937.26
    2-octanol 987.9
    2-hexanone 4484.72
    octyl acetate 1446.85
    limonene 1953.31
    1,2-dimethoxyethane 5843.88
    ethyl orthosilicate 1084.14
    tributyl phosphate 966.18
    diacetone alcohol 2364.71
    N,N-dimethylaniline 1496.88
    acrylonitrile 2396.12
    aniline 2532.26
    1,3-propanediol 1053.31
    bromobenzene 4826.16
    dibromomethane 6475.42
    1,1,2,2-tetrachloroethane 7625.07
    2-methyl-cyclohexyl acetate 2209.8
    tetrabutyl urea 1290.54
    diisobutyl methanol 1058.61
    2-phenylethanol 1983.14
    styrene 2245.74
    dioctyl adipate 1361.52
    dimethyl sulfate 1376.06
    ethyl butyrate 3729.25
    methyl lactate 728.83
    butyl lactate 1575.7
    diethyl carbonate 1773.37
    propanediol butyl ether 1176.98
    triethyl orthoformate 2214.99
    p-tert-butyltoluene 954.59
    methyl 4-tert-butylbenzoate 1439.52
    morpholine 7183.54
    tert-butylamine 2052.28
    n-dodecanol 534.0
    dimethoxymethane 4190.08
    ethylene carbonate 2689.66
    cyrene 1239.08
    2-ethoxyethyl acetate 3863.12
    2-ethylhexyl acetate 5275.56
    1,2,4-trichlorobenzene 2947.64
    4-methylpyridine 7286.25
    dibutyl ether 3187.71
    2,6-dimethyl-4-heptanol 1058.61
    DEF 5520.01
    dimethyl isosorbide 2700.15
    tetrachloroethylene 4844.07
    eugenol 1384.06
    triacetin 1933.87
    span 80 1372.87
    1,4-butanediol 485.01
    1,1-dichloroethane 7135.2
    2-methyl-1-pentanol 2155.57
    methyl formate 1222.95
    2-methyl-1-butanol 2561.3
    n-decane 346.79
    butyronitrile 4724.38
    3,7-dimethyl-1-octanol 1277.4
    1-chlorooctane 1342.27
    1-chlorotetradecane 492.65
    n-nonane 369.28
    undecane 233.84
    tert-butylcyclohexane 569.12
    cyclooctane 604.81
    cyclopentanol 2415.81
    tetrahydropyran 9956.28
    tert-amyl methyl ether 3626.63
    2,5,8-trioxanonane 2304.12
    1-hexene 3246.09
    2-isopropoxyethanol 1791.51
    2,2,2-trifluoroethanol 400.97
    methyl butyrate 4393.17

    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