2-Hexyl-4,5-dimethylthiazole

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  • Identifiers

    CAS number
    87262-49-5

    Molecular formula
    C11H19NS

    SMILES
    CCCCCCC1=NC(=C(S1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 65.15%
    Roasted 59.52%
    Nutty 57.76%
    Meaty 55.11%
    Vegetable 51.09%
    Earthy 41.19%
    Fatty 39.96%
    Burnt 36.05%
    Fruity 33.02%
    Savory 31.46%

     

    Flavor
    Green 56.6%
    Earthy 45.32%
    Roasted 41.52%
    Pepper 36.93%
    Nutty 35.6%
    Herbal 34.17%
    Vegetable 32.9%
    Burnt 30.74%
    Meaty 30.68%
    Fatty 30.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.62 (neutral)

    Molecular weight
    197.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 89.68 ˚C est.

  • Synonyms

    • 2-Hexyl-4,5-dimethylthiazole
    • 87262-49-5
    • RefChem:87302
    • KVNSTYMROSOFEA-UHFFFAOYSA-N
    • DTXSID401308655
    • 2-Hexyl-4,5-dimethyl-1,3-thiazole
    • 87262-49-5

  • Applications

    2-Hexyl-4,5-dimethylthiazole (CAS 87262-49-5) is commonly used as an odorant and fragrance ingredient in perfumery and cosmetics, contributing distinctive notes and sometimes acting as a fixative in formulations. It is evaluated for use in household products such as cleaners and air fresheners as a fragrance additive, and may serve as an intermediate in the synthesis of specialty chemicals within industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 831.05
    methanol 574.63
    isopropanol 773.25
    water 0.09
    ethyl acetate 2115.49
    n-propanol 840.18
    acetone 2624.01
    n-butanol 977.84
    acetonitrile 1058.27
    DMF 2357.23
    toluene 1641.95
    isobutanol 820.86
    1,4-dioxane 3433.27
    methyl acetate 1621.55
    THF 3834.05
    2-butanone 2287.96
    n-pentanol 777.28
    sec-butanol 869.68
    n-hexane 394.51
    ethylene glycol 77.33
    NMP 2068.9
    cyclohexane 727.32
    DMSO 1678.57
    n-butyl acetate 2672.53
    n-octanol 476.97
    chloroform 4312.9
    n-propyl acetate 1412.49
    acetic acid 653.07
    dichloromethane 3551.12
    cyclohexanone 3604.13
    propylene glycol 181.52
    isopropyl acetate 1607.16
    DMAc 2220.91
    2-ethoxyethanol 942.14
    isopentanol 1090.0
    n-heptane 230.33
    ethyl formate 805.67
    1,2-dichloroethane 2749.74
    n-hexanol 1197.22
    2-methoxyethanol 1266.62
    isobutyl acetate 1137.04
    tetrachloromethane 911.18
    n-pentyl acetate 1200.33
    transcutol 3907.16
    n-heptanol 475.3
    ethylbenzene 688.39
    MIBK 1290.02
    2-propoxyethanol 1687.29
    tert-butanol 1150.39
    MTBE 2654.17
    2-butoxyethanol 804.47
    propionic acid 612.91
    o-xylene 852.26
    formic acid 97.11
    diethyl ether 2758.07
    m-xylene 936.78
    p-xylene 949.77
    chlorobenzene 1782.96
    dimethyl carbonate 541.05
    n-octane 97.99
    formamide 185.07
    cyclopentanone 3075.91
    2-pentanone 2150.34
    anisole 1189.94
    cyclopentyl methyl ether 2296.29
    gamma-butyrolactone 2361.65
    1-methoxy-2-propanol 1096.42
    pyridine 2595.74
    3-pentanone 1745.97
    furfural 1967.81
    n-dodecane 67.02
    diethylene glycol 691.58
    diisopropyl ether 864.86
    tert-amyl alcohol 1097.97
    acetylacetone 2140.26
    n-hexadecane 82.88
    acetophenone 1042.0
    methyl propionate 1390.19
    isopentyl acetate 2278.86
    trichloroethylene 4499.1
    n-nonanol 434.77
    cyclohexanol 1312.38
    benzyl alcohol 795.93
    2-ethylhexanol 836.03
    isooctanol 436.66
    dipropyl ether 1424.38
    1,2-dichlorobenzene 1472.45
    ethyl lactate 383.83
    propylene carbonate 1464.91
    n-methylformamide 567.83
    2-pentanol 841.21
    n-pentane 276.81
    1-propoxy-2-propanol 1363.32
    1-methoxy-2-propyl acetate 1887.93
    2-(2-methoxypropoxy) propanol 832.45
    mesitylene 605.69
    ε-caprolactone 2522.61
    p-cymene 440.92
    epichlorohydrin 3084.43
    1,1,1-trichloroethane 2975.59
    2-aminoethanol 226.69
    morpholine-4-carbaldehyde 2320.18
    sulfolane 2471.24
    2,2,4-trimethylpentane 177.65
    2-methyltetrahydrofuran 3325.09
    n-hexyl acetate 1394.76
    isooctane 139.82
    2-(2-butoxyethoxy)ethanol 1119.1
    sec-butyl acetate 1129.78
    tert-butyl acetate 1749.32
    decalin 283.0
    glycerin 260.41
    diglyme 2058.27
    acrylic acid 429.95
    isopropyl myristate 542.68
    n-butyric acid 1306.86
    acetyl acetate 1206.45
    di(2-ethylhexyl) phthalate 459.71
    ethyl propionate 1049.21
    nitromethane 1236.33
    1,2-diethoxyethane 2564.44
    benzonitrile 1321.3
    trioctyl phosphate 310.94
    1-bromopropane 1927.53
    gamma-valerolactone 3160.32
    n-decanol 319.19
    triethyl phosphate 476.75
    4-methyl-2-pentanol 544.49
    propionitrile 1096.73
    vinylene carbonate 1207.51
    1,1,2-trichlorotrifluoroethane 1533.01
    DMS 1000.0
    cumene 441.05
    2-octanol 394.17
    2-hexanone 1573.95
    octyl acetate 633.07
    limonene 802.22
    1,2-dimethoxyethane 2268.11
    ethyl orthosilicate 518.65
    tributyl phosphate 463.66
    diacetone alcohol 1142.73
    N,N-dimethylaniline 771.67
    acrylonitrile 947.34
    aniline 1260.35
    1,3-propanediol 505.77
    bromobenzene 2181.87
    dibromomethane 2549.14
    1,1,2,2-tetrachloroethane 3826.63
    2-methyl-cyclohexyl acetate 1001.59
    tetrabutyl urea 569.79
    diisobutyl methanol 450.45
    2-phenylethanol 974.61
    styrene 968.17
    dioctyl adipate 653.95
    dimethyl sulfate 802.49
    ethyl butyrate 1324.22
    methyl lactate 415.26
    butyl lactate 672.19
    diethyl carbonate 739.24
    propanediol butyl ether 626.1
    triethyl orthoformate 896.85
    p-tert-butyltoluene 441.96
    methyl 4-tert-butylbenzoate 760.87
    morpholine 3318.33
    tert-butylamine 862.39
    n-dodecanol 248.27
    dimethoxymethane 1645.55
    ethylene carbonate 1139.4
    cyrene 740.49
    2-ethoxyethyl acetate 1607.73
    2-ethylhexyl acetate 1926.86
    1,2,4-trichlorobenzene 1648.34
    4-methylpyridine 3104.91
    dibutyl ether 1138.37
    2,6-dimethyl-4-heptanol 450.45
    DEF 2144.93
    dimethyl isosorbide 1494.0
    tetrachloroethylene 2393.2
    eugenol 742.51
    triacetin 985.0
    span 80 775.96
    1,4-butanediol 238.06
    1,1-dichloroethane 2916.22
    2-methyl-1-pentanol 874.86
    methyl formate 475.74
    2-methyl-1-butanol 1016.33
    n-decane 124.94
    butyronitrile 1433.95
    3,7-dimethyl-1-octanol 577.7
    1-chlorooctane 545.88
    1-chlorotetradecane 207.05
    n-nonane 127.95
    undecane 86.16
    tert-butylcyclohexane 256.59
    cyclooctane 226.09
    cyclopentanol 988.75
    tetrahydropyran 3774.32
    tert-amyl methyl ether 1623.39
    2,5,8-trioxanonane 1294.65
    1-hexene 1198.62
    2-isopropoxyethanol 820.67
    2,2,2-trifluoroethanol 235.16
    methyl butyrate 1426.87

    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