2,4-Dimethyl-5-pentylthiazole

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  • Identifiers

    CAS number
    96693-91-3

    Molecular formula
    C10H17NS

    SMILES
    CCCCCC1=C(N=C(S1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 68.17%
    Roasted 63.34%
    Nutty 63.01%
    Meaty 56.88%
    Vegetable 54.72%
    Earthy 43.58%
    Burnt 37.25%
    Fatty 33.3%
    Fruity 33.14%
    Sulfurous 33.04%

     

    Flavor
    Roasted 51.81%
    Earthy 49.35%
    Green 46.94%
    Nutty 44.03%
    Burnt 38.16%
    Meaty 37.11%
    Vegetable 35.92%
    Musty 33.93%
    Pepper 33.46%
    Earth 30.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.59 (neutral)

    Molecular weight
    183.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 83.87 ˚C est.

  • Synonyms

    • 2,4-Dimethyl-5-pentylthiazole
    • 2,4-dimethyl-5-pentyl-1,3-thiazole
    • 96693-91-3
    • RefChem:82513
    • SCHEMBL2091446
    • SCHEMBL27610577
    • DTXSID801308176
    • AKOS006370748
    • 96693-91-3

  • Applications

    2,4-Dimethyl-5-pentylthiazole can be regarded as an aroma ingredient in the fragrance industry: it may be used as an odorant or a scent fixative in perfumery and aroma formulations. It may also be employed as a flavor component in flavorings for food processing. In cosmetics and personal care, it can serve as a fragrance ingredient. In household and cleaning products, it may function as a scent additive to enhance product fragrance. In industrial manufacturing, it can be used as a synthetic intermediate for chemical synthesis. Additionally, it may be evaluated as an intermediate for pharmaceutical and agrochemical research; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 911.61
    methanol 795.34
    isopropanol 734.05
    water 0.27
    ethyl acetate 1569.67
    n-propanol 894.41
    acetone 2100.52
    n-butanol 980.8
    acetonitrile 954.89
    DMF 2089.13
    toluene 1519.08
    isobutanol 805.63
    1,4-dioxane 3101.84
    methyl acetate 1282.66
    THF 3647.99
    2-butanone 1687.98
    n-pentanol 705.62
    sec-butanol 805.71
    n-hexane 367.01
    ethylene glycol 119.52
    NMP 2212.56
    cyclohexane 769.9
    DMSO 1673.39
    n-butyl acetate 1806.23
    n-octanol 443.73
    chloroform 3715.9
    n-propyl acetate 905.37
    acetic acid 738.79
    dichloromethane 2877.26
    cyclohexanone 2988.12
    propylene glycol 232.78
    isopropyl acetate 1100.32
    DMAc 1726.65
    2-ethoxyethanol 754.99
    isopentanol 989.78
    n-heptane 232.39
    ethyl formate 675.97
    1,2-dichloroethane 2120.73
    n-hexanol 1171.56
    2-methoxyethanol 1197.56
    isobutyl acetate 756.55
    tetrachloromethane 838.46
    n-pentyl acetate 870.03
    transcutol 2885.57
    n-heptanol 431.46
    ethylbenzene 517.83
    MIBK 924.84
    2-propoxyethanol 1547.0
    tert-butanol 971.07
    MTBE 1843.75
    2-butoxyethanol 668.75
    propionic acid 607.06
    o-xylene 706.16
    formic acid 145.53
    diethyl ether 2129.41
    m-xylene 796.3
    p-xylene 693.34
    chlorobenzene 1571.84
    dimethyl carbonate 461.86
    n-octane 88.21
    formamide 241.87
    cyclopentanone 2704.18
    2-pentanone 1609.87
    anisole 902.86
    cyclopentyl methyl ether 2021.19
    gamma-butyrolactone 2198.04
    1-methoxy-2-propanol 910.35
    pyridine 2348.46
    3-pentanone 1304.75
    furfural 1741.75
    n-dodecane 62.86
    diethylene glycol 694.74
    diisopropyl ether 639.33
    tert-amyl alcohol 897.31
    acetylacetone 1552.47
    n-hexadecane 77.6
    acetophenone 765.11
    methyl propionate 1075.88
    isopentyl acetate 1561.37
    trichloroethylene 3581.15
    n-nonanol 388.92
    cyclohexanol 1274.37
    benzyl alcohol 649.37
    2-ethylhexanol 727.46
    isooctanol 362.27
    dipropyl ether 1048.51
    1,2-dichlorobenzene 1176.45
    ethyl lactate 295.27
    propylene carbonate 1260.76
    n-methylformamide 601.82
    2-pentanol 723.77
    n-pentane 288.66
    1-propoxy-2-propanol 1100.33
    1-methoxy-2-propyl acetate 1362.12
    2-(2-methoxypropoxy) propanol 665.41
    mesitylene 496.48
    ε-caprolactone 2025.5
    p-cymene 360.82
    epichlorohydrin 2505.45
    1,1,1-trichloroethane 2356.73
    2-aminoethanol 293.56
    morpholine-4-carbaldehyde 2036.33
    sulfolane 2356.54
    2,2,4-trimethylpentane 158.47
    2-methyltetrahydrofuran 2983.86
    n-hexyl acetate 1108.62
    isooctane 119.84
    2-(2-butoxyethoxy)ethanol 899.04
    sec-butyl acetate 731.95
    tert-butyl acetate 1197.19
    decalin 252.36
    glycerin 317.13
    diglyme 1599.64
    acrylic acid 479.39
    isopropyl myristate 426.98
    n-butyric acid 1147.72
    acetyl acetate 897.02
    di(2-ethylhexyl) phthalate 397.2
    ethyl propionate 718.54
    nitromethane 1164.73
    1,2-diethoxyethane 1691.66
    benzonitrile 1092.25
    trioctyl phosphate 270.28
    1-bromopropane 1552.64
    gamma-valerolactone 2757.34
    n-decanol 283.34
    triethyl phosphate 357.06
    4-methyl-2-pentanol 451.86
    propionitrile 943.27
    vinylene carbonate 1069.17
    1,1,2-trichlorotrifluoroethane 1383.72
    DMS 758.42
    cumene 332.0
    2-octanol 347.54
    2-hexanone 1094.9
    octyl acetate 518.24
    limonene 683.88
    1,2-dimethoxyethane 1777.79
    ethyl orthosilicate 389.71
    tributyl phosphate 380.92
    diacetone alcohol 887.34
    N,N-dimethylaniline 597.48
    acrylonitrile 850.02
    aniline 1200.57
    1,3-propanediol 530.65
    bromobenzene 1886.65
    dibromomethane 2111.73
    1,1,2,2-tetrachloroethane 3058.54
    2-methyl-cyclohexyl acetate 785.03
    tetrabutyl urea 482.8
    diisobutyl methanol 367.56
    2-phenylethanol 831.97
    styrene 742.35
    dioctyl adipate 522.48
    dimethyl sulfate 696.56
    ethyl butyrate 866.27
    methyl lactate 359.39
    butyl lactate 510.97
    diethyl carbonate 521.57
    propanediol butyl ether 557.54
    triethyl orthoformate 632.45
    p-tert-butyltoluene 367.27
    methyl 4-tert-butylbenzoate 603.82
    morpholine 2998.89
    tert-butylamine 765.22
    n-dodecanol 218.88
    dimethoxymethane 1403.18
    ethylene carbonate 993.17
    cyrene 651.85
    2-ethoxyethyl acetate 1141.64
    2-ethylhexyl acetate 1371.81
    1,2,4-trichlorobenzene 1377.5
    4-methylpyridine 2648.84
    dibutyl ether 849.68
    2,6-dimethyl-4-heptanol 367.56
    DEF 1597.37
    dimethyl isosorbide 1242.99
    tetrachloroethylene 1987.18
    eugenol 591.39
    triacetin 743.32
    span 80 654.11
    1,4-butanediol 240.87
    1,1-dichloroethane 2256.32
    2-methyl-1-pentanol 747.14
    methyl formate 497.53
    2-methyl-1-butanol 917.14
    n-decane 114.3
    butyronitrile 1212.91
    3,7-dimethyl-1-octanol 475.5
    1-chlorooctane 471.76
    1-chlorotetradecane 177.28
    n-nonane 119.31
    undecane 81.83
    tert-butylcyclohexane 214.67
    cyclooctane 233.51
    cyclopentanol 1056.0
    tetrahydropyran 3421.1
    tert-amyl methyl ether 1202.49
    2,5,8-trioxanonane 1070.84
    1-hexene 925.95
    2-isopropoxyethanol 608.2
    2,2,2-trifluoroethanol 263.9
    methyl butyrate 948.86

    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