4,5-Dimethyl-2-octylthiazole

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  • Identifiers

    CAS number
    87262-52-0

    Molecular formula
    C13H23NS

    SMILES
    CCCCCCCCC1=NC(=C(S1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 54.6%
    Meaty 54.26%
    Green 52.8%
    Nutty 50.94%
    Fatty 47.43%
    Vegetable 42.49%
    Earthy 35.74%
    Burnt 35.02%
    Savory 32.02%
    Sulfurous 28.4%

     

    Flavor
    Green 38.97%
    Earthy 34.97%
    Roasted 32.85%
    Herbal 32.12%
    Fatty 31.8%
    Pepper 31.15%
    Musty 26.88%
    Nutty 26.41%
    Burnt 24.54%
    Syrup 23.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.67 (neutral)

    Molecular weight
    225.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 100.93 ˚C est.

  • Synonyms

    • 4,5-Dimethyl-2-octylthiazole
    • 2-Octyl-4,5-dimethylthiazole
    • 4,5-dimethyl-2-octyl-1,3-thiazole
    • CHEBI:180753
    • HGRFDZGIRVFJRV-UHFFFAOYSA-N
    • DTXSID501308953
    • 87262-52-0
    • 87262-52-0

  • Applications

    4,5-Dimethyl-2-octylthiazole (CAS 87262-52-0) is primarily considered as a fragrance component and an intermediate in industrial synthesis. In perfumery and cosmetics/personal care, it can function as an odorant and may contribute to a lasting scent; in household products, it is evaluated for imparting characteristic notes and scent retention; in coatings and inks, it can be used as a fragrance additive or odor fixative to enhance and preserve aroma; in industrial manufacturing, it can serve as an intermediate building block for the synthesis of further thiazole-containing compounds; it may also be explored as a synthetic intermediate in pharmaceutical and agrochemical R&D, subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 857.31
    methanol 472.2
    isopropanol 861.56
    water 0.03
    ethyl acetate 2609.09
    n-propanol 927.76
    acetone 2948.47
    n-butanol 1091.9
    acetonitrile 1031.64
    DMF 1778.04
    toluene 1897.94
    isobutanol 903.92
    1,4-dioxane 3811.77
    methyl acetate 1745.97
    THF 4715.3
    2-butanone 2838.21
    n-pentanol 914.3
    sec-butanol 1056.98
    n-hexane 503.81
    ethylene glycol 40.68
    NMP 1624.61
    cyclohexane 1111.87
    DMSO 1430.34
    n-butyl acetate 3450.17
    n-octanol 548.44
    chloroform 4520.71
    n-propyl acetate 2051.24
    acetic acid 498.04
    dichloromethane 4048.53
    cyclohexanone 4528.7
    propylene glycol 127.22
    isopropyl acetate 2029.52
    DMAc 1904.75
    2-ethoxyethanol 1004.18
    isopentanol 1236.16
    n-heptane 380.34
    ethyl formate 881.34
    1,2-dichloroethane 3059.03
    n-hexanol 1377.84
    2-methoxyethanol 1079.94
    isobutyl acetate 1488.55
    tetrachloromethane 1042.51
    n-pentyl acetate 1656.37
    transcutol 3872.72
    n-heptanol 551.46
    ethylbenzene 836.37
    MIBK 1609.16
    2-propoxyethanol 1708.09
    tert-butanol 1244.39
    MTBE 3265.53
    2-butoxyethanol 868.66
    propionic acid 556.14
    o-xylene 942.75
    formic acid 51.36
    diethyl ether 3724.73
    m-xylene 1057.34
    p-xylene 1153.37
    chlorobenzene 1910.56
    dimethyl carbonate 458.54
    n-octane 147.28
    formamide 107.24
    cyclopentanone 3260.44
    2-pentanone 2693.41
    anisole 1347.54
    cyclopentyl methyl ether 2807.05
    gamma-butyrolactone 2353.04
    1-methoxy-2-propanol 1036.6
    pyridine 2789.89
    3-pentanone 2113.89
    furfural 1671.29
    n-dodecane 91.84
    diethylene glycol 534.69
    diisopropyl ether 1103.37
    tert-amyl alcohol 1215.22
    acetylacetone 2343.48
    n-hexadecane 113.33
    acetophenone 1164.27
    methyl propionate 1497.77
    isopentyl acetate 2849.77
    trichloroethylene 4472.39
    n-nonanol 502.39
    cyclohexanol 1581.46
    benzyl alcohol 804.28
    2-ethylhexanol 1040.87
    isooctanol 518.58
    dipropyl ether 2118.44
    1,2-dichlorobenzene 1579.18
    ethyl lactate 401.04
    propylene carbonate 1480.77
    n-methylformamide 436.61
    2-pentanol 990.73
    n-pentane 370.36
    1-propoxy-2-propanol 1529.99
    1-methoxy-2-propyl acetate 2105.45
    2-(2-methoxypropoxy) propanol 826.88
    mesitylene 694.71
    ε-caprolactone 2968.29
    p-cymene 552.62
    epichlorohydrin 3327.32
    1,1,1-trichloroethane 3409.66
    2-aminoethanol 158.84
    morpholine-4-carbaldehyde 2007.39
    sulfolane 2256.49
    2,2,4-trimethylpentane 204.87
    2-methyltetrahydrofuran 4146.32
    n-hexyl acetate 1720.14
    isooctane 161.96
    2-(2-butoxyethoxy)ethanol 1170.65
    sec-butyl acetate 1503.62
    tert-butyl acetate 2149.34
    decalin 373.17
    glycerin 162.91
    diglyme 2244.33
    acrylic acid 325.23
    isopropyl myristate 686.17
    n-butyric acid 1382.63
    acetyl acetate 1354.69
    di(2-ethylhexyl) phthalate 494.19
    ethyl propionate 1378.63
    nitromethane 1008.49
    1,2-diethoxyethane 3265.83
    benzonitrile 1327.79
    trioctyl phosphate 354.98
    1-bromopropane 2540.85
    gamma-valerolactone 3083.72
    n-decanol 371.56
    triethyl phosphate 566.13
    4-methyl-2-pentanol 621.68
    propionitrile 1177.99
    vinylene carbonate 1147.46
    1,1,2-trichlorotrifluoroethane 1328.63
    DMS 1038.8
    cumene 519.21
    2-octanol 464.99
    2-hexanone 2130.34
    octyl acetate 768.02
    limonene 1029.05
    1,2-dimethoxyethane 2711.6
    ethyl orthosilicate 624.91
    tributyl phosphate 515.37
    diacetone alcohol 1180.99
    N,N-dimethylaniline 815.86
    acrylonitrile 888.55
    aniline 1293.68
    1,3-propanediol 410.29
    bromobenzene 2340.13
    dibromomethane 3028.97
    1,1,2,2-tetrachloroethane 3936.96
    2-methyl-cyclohexyl acetate 1241.43
    tetrabutyl urea 643.67
    diisobutyl methanol 550.88
    2-phenylethanol 1016.64
    styrene 1154.63
    dioctyl adipate 786.29
    dimethyl sulfate 624.71
    ethyl butyrate 1875.8
    methyl lactate 355.41
    butyl lactate 763.08
    diethyl carbonate 939.94
    propanediol butyl ether 609.65
    triethyl orthoformate 1175.94
    p-tert-butyltoluene 541.09
    methyl 4-tert-butylbenzoate 822.37
    morpholine 3668.7
    tert-butylamine 962.48
    n-dodecanol 288.69
    dimethoxymethane 1583.17
    ethylene carbonate 1189.86
    cyrene 736.12
    2-ethoxyethyl acetate 1907.5
    2-ethylhexyl acetate 2414.28
    1,2,4-trichlorobenzene 1679.01
    4-methylpyridine 3244.88
    dibutyl ether 1605.49
    2,6-dimethyl-4-heptanol 550.88
    DEF 2294.62
    dimethyl isosorbide 1593.17
    tetrachloroethylene 2415.43
    eugenol 739.3
    triacetin 1142.03
    span 80 810.6
    1,4-butanediol 203.08
    1,1-dichloroethane 3365.64
    2-methyl-1-pentanol 996.16
    methyl formate 353.17
    2-methyl-1-butanol 1109.63
    n-decane 178.11
    butyronitrile 1732.91
    3,7-dimethyl-1-octanol 657.67
    1-chlorooctane 684.81
    1-chlorotetradecane 260.43
    n-nonane 183.77
    undecane 121.45
    tert-butylcyclohexane 310.14
    cyclooctane 333.69
    cyclopentanol 1093.65
    tetrahydropyran 5225.15
    tert-amyl methyl ether 1938.51
    2,5,8-trioxanonane 1395.82
    1-hexene 1590.08
    2-isopropoxyethanol 901.12
    2,2,2-trifluoroethanol 158.7
    methyl butyrate 2007.87

    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