4-Methyl-2-pentylthiazole

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  • Identifiers

    CAS number
    96693-92-4

    Molecular formula
    C9H15NS

    SMILES
    CCCCCC1=NC(=CS1)C

  • Odor profile

    Fragrance
    Green 80.04%
    Vegetable 65.29%
    Meaty 53.91%
    Nutty 50.61%
    Roasted 48.63%
    Fatty 40.99%
    Sulfurous 38.56%
    Tropical 38.26%
    Earthy 35.67%
    Fruity 32.75%

     

    Flavor
    Green 83.39%
    Earthy 48.6%
    Vegetable 45.7%
    Nutty 43.69%
    Fatty 42.1%
    Pepper 41.84%
    Roasted 41.8%
    Herbal 38.83%
    Raw 32.23%
    Meaty 31.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.58 (neutral)

    Molecular weight
    169.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 80.34 ˚C est.

  • Synonyms

    • 4-Methyl-2-pentylthiazole
    • 4-methyl-2-pentyl-1,3-thiazole
    • 96693-92-4
    • DTXSID101312728
    • AKOS006370745

  • Applications

    4-Methyl-2-pentylthiazole (CAS 96693-92-4) is used primarily as an aroma chemical and odorant in perfumery and flavor applications, often providing coffee-like or roasted notes; in cosmetics and personal care, it may serve as a fragrance ingredient or scent accent; in household products such as cleaners and air fresheners, it can contribute to or mask odors; in industrial manufacturing it is used as an intermediate in the synthesis of specialty chemicals; in coatings, inks, and adhesives, it can function as a fragrance additive to impart or modulate odor profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1077.27
    methanol 880.12
    isopropanol 749.06
    water 0.16
    ethyl acetate 1394.56
    n-propanol 826.62
    acetone 2422.23
    n-butanol 923.63
    acetonitrile 833.28
    DMF 1964.38
    toluene 1123.08
    isobutanol 714.56
    1,4-dioxane 2702.99
    methyl acetate 1039.92
    THF 3187.49
    2-butanone 1492.22
    n-pentanol 670.06
    sec-butanol 667.08
    n-hexane 236.31
    ethylene glycol 143.78
    NMP 1580.12
    cyclohexane 562.05
    DMSO 2030.2
    n-butyl acetate 1528.02
    n-octanol 391.03
    chloroform 3032.65
    n-propyl acetate 785.3
    acetic acid 787.3
    dichloromethane 2637.51
    cyclohexanone 2528.42
    propylene glycol 272.93
    isopropyl acetate 942.52
    DMAc 1379.12
    2-ethoxyethanol 754.65
    isopentanol 855.08
    n-heptane 186.79
    ethyl formate 604.59
    1,2-dichloroethane 1905.23
    n-hexanol 1064.49
    2-methoxyethanol 1233.54
    isobutyl acetate 643.66
    tetrachloromethane 575.37
    n-pentyl acetate 642.21
    transcutol 2956.5
    n-heptanol 335.32
    ethylbenzene 352.52
    MIBK 767.57
    2-propoxyethanol 1397.24
    tert-butanol 923.27
    MTBE 1378.27
    2-butoxyethanol 559.16
    propionic acid 555.35
    o-xylene 470.21
    formic acid 141.89
    diethyl ether 1836.43
    m-xylene 553.12
    p-xylene 484.36
    chlorobenzene 1218.49
    dimethyl carbonate 355.75
    n-octane 71.02
    formamide 216.42
    cyclopentanone 2165.7
    2-pentanone 1439.96
    anisole 659.29
    cyclopentyl methyl ether 1503.3
    gamma-butyrolactone 1693.44
    1-methoxy-2-propanol 921.05
    pyridine 2084.8
    3-pentanone 1005.73
    furfural 1384.89
    n-dodecane 60.47
    diethylene glycol 757.4
    diisopropyl ether 450.7
    tert-amyl alcohol 711.84
    acetylacetone 1502.5
    n-hexadecane 71.86
    acetophenone 588.15
    methyl propionate 875.75
    isopentyl acetate 1252.73
    trichloroethylene 3112.43
    n-nonanol 338.93
    cyclohexanol 1046.39
    benzyl alcohol 560.49
    2-ethylhexanol 608.58
    isooctanol 276.24
    dipropyl ether 898.44
    1,2-dichlorobenzene 874.27
    ethyl lactate 244.04
    propylene carbonate 1019.68
    n-methylformamide 543.94
    2-pentanol 609.41
    n-pentane 204.34
    1-propoxy-2-propanol 1032.3
    1-methoxy-2-propyl acetate 1145.43
    2-(2-methoxypropoxy) propanol 566.53
    mesitylene 332.55
    ε-caprolactone 1597.24
    p-cymene 258.61
    epichlorohydrin 2074.75
    1,1,1-trichloroethane 1801.1
    2-aminoethanol 301.23
    morpholine-4-carbaldehyde 1732.38
    sulfolane 1744.14
    2,2,4-trimethylpentane 101.62
    2-methyltetrahydrofuran 2292.62
    n-hexyl acetate 864.89
    isooctane 81.65
    2-(2-butoxyethoxy)ethanol 830.25
    sec-butyl acetate 552.49
    tert-butyl acetate 930.31
    decalin 176.87
    glycerin 343.71
    diglyme 1453.49
    acrylic acid 428.83
    isopropyl myristate 343.04
    n-butyric acid 1062.52
    acetyl acetate 818.86
    di(2-ethylhexyl) phthalate 317.58
    ethyl propionate 539.22
    nitromethane 1165.18
    1,2-diethoxyethane 1583.7
    benzonitrile 821.34
    trioctyl phosphate 220.98
    1-bromopropane 1315.35
    gamma-valerolactone 2258.44
    n-decanol 258.49
    triethyl phosphate 267.42
    4-methyl-2-pentanol 356.23
    propionitrile 719.12
    vinylene carbonate 835.89
    1,1,2-trichlorotrifluoroethane 1155.13
    DMS 623.48
    cumene 224.25
    2-octanol 255.75
    2-hexanone 925.24
    octyl acetate 420.72
    limonene 500.27
    1,2-dimethoxyethane 1682.77
    ethyl orthosilicate 288.56
    tributyl phosphate 290.71
    diacetone alcohol 755.02
    N,N-dimethylaniline 431.74
    acrylonitrile 678.88
    aniline 950.63
    1,3-propanediol 556.39
    bromobenzene 1457.94
    dibromomethane 1898.96
    1,1,2,2-tetrachloroethane 2459.49
    2-methyl-cyclohexyl acetate 578.96
    tetrabutyl urea 381.79
    diisobutyl methanol 297.19
    2-phenylethanol 687.8
    styrene 559.93
    dioctyl adipate 432.78
    dimethyl sulfate 509.49
    ethyl butyrate 731.53
    methyl lactate 318.98
    butyl lactate 434.65
    diethyl carbonate 408.98
    propanediol butyl ether 527.59
    triethyl orthoformate 511.92
    p-tert-butyltoluene 261.33
    methyl 4-tert-butylbenzoate 433.12
    morpholine 2658.58
    tert-butylamine 639.55
    n-dodecanol 210.53
    dimethoxymethane 1311.68
    ethylene carbonate 808.33
    cyrene 505.76
    2-ethoxyethyl acetate 932.96
    2-ethylhexyl acetate 999.59
    1,2,4-trichlorobenzene 990.15
    4-methylpyridine 2074.55
    dibutyl ether 754.81
    2,6-dimethyl-4-heptanol 297.19
    DEF 1291.68
    dimethyl isosorbide 985.34
    tetrachloroethylene 1565.91
    eugenol 461.08
    triacetin 635.95
    span 80 579.07
    1,4-butanediol 257.11
    1,1-dichloroethane 1920.94
    2-methyl-1-pentanol 611.06
    methyl formate 457.06
    2-methyl-1-butanol 731.52
    n-decane 102.47
    butyronitrile 1049.55
    3,7-dimethyl-1-octanol 405.09
    1-chlorooctane 371.85
    1-chlorotetradecane 157.03
    n-nonane 103.91
    undecane 75.61
    tert-butylcyclohexane 147.98
    cyclooctane 154.83
    cyclopentanol 884.81
    tetrahydropyran 2978.85
    tert-amyl methyl ether 809.23
    2,5,8-trioxanonane 974.03
    1-hexene 720.59
    2-isopropoxyethanol 582.69
    2,2,2-trifluoroethanol 218.87
    methyl butyrate 793.88

    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