4,5-Dimethyl-2-pentylthiazole

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  • Identifiers

    CAS number
    86290-22-4

    Molecular formula
    C10H17NS

    SMILES
    CCCCCC1=NC(=C(S1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 71.23%
    Roasted 61.43%
    Nutty 60.57%
    Vegetable 54.95%
    Meaty 54.01%
    Earthy 43.63%
    Fruity 40.12%
    Burnt 37.47%
    Fatty 35.19%
    Sulfurous 32.15%

     

    Flavor
    Green 61.31%
    Earthy 49.48%
    Roasted 47.7%
    Nutty 42.54%
    Vegetable 38.74%
    Pepper 37.65%
    Burnt 34.84%
    Meaty 34.5%
    Musty 31.44%
    Earth 30.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.46 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 81.69 ˚C est.

  • Synonyms

    • 4,5-Dimethyl-2-pentylthiazole
    • 4,5-dimethyl-2-pentyl thiazole
    • 4,5-dimethyl-2-pentyl-thiazole
    • DTXSID201307299
    • 4,5-Dimethyl-2-pentyl-1,3-thiazole
    • 86290-22-4
    • 86290-22-4

  • Applications

    4,5-Dimethyl-2-pentylthiazole is an aroma-chemical commonly used in perfumery and fragrance formulations as an odorant with distinctive nutty and roasted notes; it is also evaluated for flavor applications to contribute roasted or cocoa-like character in food and beverage formulations; in cosmetics and personal care, it serves as a fragrance ingredient; in household products such as air fresheners and cleaners, it is employed to impart a distinctive scent profile; as with many specialized aroma compounds, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 923.93
    methanol 643.31
    isopropanol 801.65
    water 0.2
    ethyl acetate 1838.14
    n-propanol 810.28
    acetone 2107.38
    n-butanol 972.41
    acetonitrile 943.58
    DMF 1936.85
    toluene 1455.23
    isobutanol 799.05
    1,4-dioxane 3214.03
    methyl acetate 1357.35
    THF 3642.16
    2-butanone 1745.06
    n-pentanol 742.13
    sec-butanol 821.99
    n-hexane 343.31
    ethylene glycol 89.44
    NMP 1751.1
    cyclohexane 700.01
    DMSO 1329.78
    n-butyl acetate 2306.24
    n-octanol 531.57
    chloroform 3863.19
    n-propyl acetate 1105.65
    acetic acid 698.21
    dichloromethane 3209.66
    cyclohexanone 2907.24
    propylene glycol 205.18
    isopropyl acetate 1324.79
    DMAc 1640.16
    2-ethoxyethanol 828.36
    isopentanol 1026.75
    n-heptane 267.87
    ethyl formate 772.78
    1,2-dichloroethane 2223.14
    n-hexanol 1258.85
    2-methoxyethanol 1164.15
    isobutyl acetate 921.71
    tetrachloromethane 823.9
    n-pentyl acetate 1012.53
    transcutol 3138.18
    n-heptanol 502.62
    ethylbenzene 600.13
    MIBK 1024.56
    2-propoxyethanol 1540.29
    tert-butanol 1117.96
    MTBE 2101.45
    2-butoxyethanol 757.2
    propionic acid 555.34
    o-xylene 716.96
    formic acid 115.47
    diethyl ether 2151.74
    m-xylene 821.94
    p-xylene 845.48
    chlorobenzene 1578.33
    dimethyl carbonate 445.08
    n-octane 120.96
    formamide 201.89
    cyclopentanone 2495.95
    2-pentanone 1677.86
    anisole 1000.63
    cyclopentyl methyl ether 1856.03
    gamma-butyrolactone 2074.22
    1-methoxy-2-propanol 961.5
    pyridine 2315.08
    3-pentanone 1284.35
    furfural 1730.68
    n-dodecane 92.21
    diethylene glycol 665.36
    diisopropyl ether 694.95
    tert-amyl alcohol 973.57
    acetylacetone 1713.44
    n-hexadecane 110.74
    acetophenone 860.01
    methyl propionate 1062.29
    isopentyl acetate 2002.9
    trichloroethylene 3727.93
    n-nonanol 474.36
    cyclohexanol 1262.31
    benzyl alcohol 729.2
    2-ethylhexanol 830.0
    isooctanol 440.33
    dipropyl ether 1219.72
    1,2-dichlorobenzene 1228.36
    ethyl lactate 321.68
    propylene carbonate 1328.73
    n-methylformamide 511.62
    2-pentanol 779.22
    n-pentane 274.66
    1-propoxy-2-propanol 1265.79
    1-methoxy-2-propyl acetate 1630.13
    2-(2-methoxypropoxy) propanol 760.09
    mesitylene 526.27
    ε-caprolactone 2096.34
    p-cymene 416.85
    epichlorohydrin 2537.14
    1,1,1-trichloroethane 2406.98
    2-aminoethanol 240.05
    morpholine-4-carbaldehyde 2042.39
    sulfolane 1934.95
    2,2,4-trimethylpentane 168.95
    2-methyltetrahydrofuran 2889.63
    n-hexyl acetate 1280.64
    isooctane 137.38
    2-(2-butoxyethoxy)ethanol 1038.9
    sec-butyl acetate 872.57
    tert-butyl acetate 1393.48
    decalin 272.82
    glycerin 266.0
    diglyme 1796.34
    acrylic acid 404.55
    isopropyl myristate 508.82
    n-butyric acid 1238.28
    acetyl acetate 1074.84
    di(2-ethylhexyl) phthalate 440.88
    ethyl propionate 789.86
    nitromethane 1104.81
    1,2-diethoxyethane 2104.38
    benzonitrile 1204.18
    trioctyl phosphate 303.97
    1-bromopropane 1569.21
    gamma-valerolactone 2746.49
    n-decanol 348.22
    triethyl phosphate 407.31
    4-methyl-2-pentanol 511.12
    propionitrile 918.23
    vinylene carbonate 1127.86
    1,1,2-trichlorotrifluoroethane 1229.3
    DMS 846.31
    cumene 395.56
    2-octanol 425.07
    2-hexanone 1237.93
    octyl acetate 598.48
    limonene 751.03
    1,2-dimethoxyethane 2013.77
    ethyl orthosilicate 449.22
    tributyl phosphate 425.18
    diacetone alcohol 957.18
    N,N-dimethylaniline 654.43
    acrylonitrile 799.41
    aniline 1105.28
    1,3-propanediol 513.56
    bromobenzene 1877.78
    dibromomethane 2262.68
    1,1,2,2-tetrachloroethane 3092.96
    2-methyl-cyclohexyl acetate 880.39
    tetrabutyl urea 513.68
    diisobutyl methanol 440.79
    2-phenylethanol 923.62
    styrene 841.49
    dioctyl adipate 592.87
    dimethyl sulfate 608.29
    ethyl butyrate 1133.8
    methyl lactate 352.12
    butyl lactate 587.04
    diethyl carbonate 660.09
    propanediol butyl ether 621.43
    triethyl orthoformate 789.04
    p-tert-butyltoluene 422.05
    methyl 4-tert-butylbenzoate 672.59
    morpholine 3021.49
    tert-butylamine 855.14
    n-dodecanol 281.45
    dimethoxymethane 1399.37
    ethylene carbonate 1064.44
    cyrene 660.24
    2-ethoxyethyl acetate 1341.58
    2-ethylhexyl acetate 1661.21
    1,2,4-trichlorobenzene 1347.88
    4-methylpyridine 2740.58
    dibutyl ether 1051.09
    2,6-dimethyl-4-heptanol 440.79
    DEF 1614.36
    dimethyl isosorbide 1371.7
    tetrachloroethylene 1941.68
    eugenol 685.87
    triacetin 870.7
    span 80 744.48
    1,4-butanediol 246.87
    1,1-dichloroethane 2465.63
    2-methyl-1-pentanol 795.59
    methyl formate 461.56
    2-methyl-1-butanol 921.12
    n-decane 160.25
    butyronitrile 1324.52
    3,7-dimethyl-1-octanol 574.17
    1-chlorooctane 562.56
    1-chlorotetradecane 227.21
    n-nonane 163.82
    undecane 116.83
    tert-butylcyclohexane 248.62
    cyclooctane 225.66
    cyclopentanol 944.63
    tetrahydropyran 3390.72
    tert-amyl methyl ether 1296.93
    2,5,8-trioxanonane 1193.56
    1-hexene 985.04
    2-isopropoxyethanol 717.55
    2,2,2-trifluoroethanol 225.76
    methyl butyrate 1129.18

    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