2,5-Diethyl-4-methylthiazole

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  • Identifiers

    CAS number
    41981-71-9

    Molecular formula
    C8H13NS

    SMILES
    CCC1=C(N=C(S1)CC)C

  • Odor profile

    Fragrance
    Green 80.0%
    Nutty 75.82%
    Roasted 63.32%
    Vegetable 56.85%
    Earthy 56.77%
    Meaty 52.8%
    Cocoa 43.47%
    Musty 39.25%
    Burnt 38.87%
    Potato 38.23%

     

    Flavor
    Green 79.44%
    Nutty 62.69%
    Earthy 52.38%
    Vegetable 50.06%
    Roasted 42.17%
    Raw 35.67%
    Meaty 35.15%
    Potato 33.15%
    Pepper 32.21%
    Hazelnut 31.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.75 (neutral)

    Molecular weight
    155.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Melting point expt.

    • 87 °C

    Flash point

    • 61.4 ˚C est.

  • Synonyms

    • 2,5-Diethyl-4-methylthiazole
    • Thiazole, 2,5-diethyl-4-methyl-
    • UNII-NC05V13YJK
    • NC05V13YJK
    • 41981-71-9
    • 2,5-Diethyl-4-methyl-1,3-thiazole
    • 4-methyl-2,5-diethylthiazole
    • 2,4-diethyl-5-methyl thiazole
    • 2,5-diethyl-4-methyl thiazole
    • SCHEMBL15796727
    • DTXCID901477677
    • AKOS006370198
    • 2,5-Diethyl-4-methyl-1,3-thiazole #
    • NS00114115
    • Q27284786
    • 609-977-3

  • Applications

    2,5-Diethyl-4-methylthiazole (CAS 41981-71-9) is used as an odorant in perfumery and fragrance applications, contributing warm, distinctive notes typical of thiazole derivatives; it may also serve as a flavoring component or aroma contributor in food and beverage formulations where permitted. In cosmetics and personal care, it can function as a fragrance ingredient, subject to formulation limits and regulations. Industrially, it is employed as a chemical building block and synthetic intermediate in the production of more complex heterocyclic compounds for specialty chemicals and research applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 414.97
    methanol 480.38
    isopropanol 353.01
    water 1.73
    ethyl acetate 554.56
    n-propanol 405.37
    acetone 812.07
    n-butanol 397.35
    acetonitrile 506.68
    DMF 1388.21
    toluene 716.48
    isobutanol 352.59
    1,4-dioxane 1285.62
    methyl acetate 596.0
    THF 1588.49
    2-butanone 715.45
    n-pentanol 343.78
    sec-butanol 378.47
    n-hexane 160.1
    ethylene glycol 109.87
    NMP 1582.58
    cyclohexane 309.05
    DMSO 951.76
    n-butyl acetate 705.96
    n-octanol 354.73
    chloroform 2463.72
    n-propyl acetate 483.15
    acetic acid 346.68
    dichloromethane 2328.5
    cyclohexanone 1451.73
    propylene glycol 135.87
    isopropyl acetate 405.13
    DMAc 1013.7
    2-ethoxyethanol 452.51
    isopentanol 357.64
    n-heptane 183.29
    ethyl formate 449.07
    1,2-dichloroethane 1192.0
    n-hexanol 509.92
    2-methoxyethanol 610.13
    isobutyl acetate 403.56
    tetrachloromethane 704.4
    n-pentyl acetate 579.58
    transcutol 812.3
    n-heptanol 313.86
    ethylbenzene 445.62
    MIBK 443.17
    2-propoxyethanol 667.39
    tert-butanol 423.9
    MTBE 529.73
    2-butoxyethanol 444.07
    propionic acid 328.08
    o-xylene 496.11
    formic acid 83.83
    diethyl ether 579.43
    m-xylene 505.85
    p-xylene 640.36
    chlorobenzene 1101.2
    dimethyl carbonate 337.18
    n-octane 110.16
    formamide 145.88
    cyclopentanone 1558.32
    2-pentanone 626.75
    anisole 719.22
    cyclopentyl methyl ether 831.05
    gamma-butyrolactone 1432.36
    1-methoxy-2-propanol 491.77
    pyridine 1235.92
    3-pentanone 567.48
    furfural 1313.77
    n-dodecane 91.39
    diethylene glycol 396.18
    diisopropyl ether 257.64
    tert-amyl alcohol 401.83
    acetylacetone 742.66
    n-hexadecane 106.62
    acetophenone 679.96
    methyl propionate 488.65
    isopentyl acetate 623.64
    trichloroethylene 2198.02
    n-nonanol 315.95
    cyclohexanol 550.86
    benzyl alcohol 507.57
    2-ethylhexanol 416.93
    isooctanol 278.08
    dipropyl ether 499.66
    1,2-dichlorobenzene 1022.52
    ethyl lactate 240.7
    propylene carbonate 827.52
    n-methylformamide 464.8
    2-pentanol 299.81
    n-pentane 142.97
    1-propoxy-2-propanol 483.82
    1-methoxy-2-propyl acetate 573.83
    2-(2-methoxypropoxy) propanol 418.74
    mesitylene 374.22
    ε-caprolactone 1036.87
    p-cymene 366.81
    epichlorohydrin 1391.7
    1,1,1-trichloroethane 1472.01
    2-aminoethanol 187.13
    morpholine-4-carbaldehyde 1354.62
    sulfolane 1708.72
    2,2,4-trimethylpentane 97.93
    2-methyltetrahydrofuran 1180.2
    n-hexyl acetate 747.97
    isooctane 79.42
    2-(2-butoxyethoxy)ethanol 499.37
    sec-butyl acetate 352.24
    tert-butyl acetate 478.04
    decalin 181.94
    glycerin 196.02
    diglyme 953.07
    acrylic acid 304.04
    isopropyl myristate 367.63
    n-butyric acid 484.31
    acetyl acetate 431.23
    di(2-ethylhexyl) phthalate 322.91
    ethyl propionate 440.67
    nitromethane 686.53
    1,2-diethoxyethane 581.3
    benzonitrile 901.12
    trioctyl phosphate 251.45
    1-bromopropane 786.74
    gamma-valerolactone 1561.71
    n-decanol 245.75
    triethyl phosphate 309.19
    4-methyl-2-pentanol 206.45
    propionitrile 543.13
    vinylene carbonate 842.03
    1,1,2-trichlorotrifluoroethane 771.56
    DMS 572.92
    cumene 335.95
    2-octanol 290.93
    2-hexanone 540.1
    octyl acetate 428.86
    limonene 522.02
    1,2-dimethoxyethane 970.4
    ethyl orthosilicate 287.33
    tributyl phosphate 298.45
    diacetone alcohol 415.78
    N,N-dimethylaniline 558.99
    acrylonitrile 656.29
    aniline 570.64
    1,3-propanediol 292.26
    bromobenzene 1302.92
    dibromomethane 1538.73
    1,1,2,2-tetrachloroethane 1711.06
    2-methyl-cyclohexyl acetate 515.51
    tetrabutyl urea 410.69
    diisobutyl methanol 243.24
    2-phenylethanol 565.21
    styrene 566.68
    dioctyl adipate 441.94
    dimethyl sulfate 525.56
    ethyl butyrate 541.14
    methyl lactate 257.86
    butyl lactate 364.6
    diethyl carbonate 384.39
    propanediol butyl ether 356.13
    triethyl orthoformate 390.65
    p-tert-butyltoluene 367.49
    methyl 4-tert-butylbenzoate 575.82
    morpholine 1061.47
    tert-butylamine 331.59
    n-dodecanol 205.95
    dimethoxymethane 843.9
    ethylene carbonate 693.87
    cyrene 498.5
    2-ethoxyethyl acetate 614.33
    2-ethylhexyl acetate 588.12
    1,2,4-trichlorobenzene 1154.59
    4-methylpyridine 1335.76
    dibutyl ether 499.9
    2,6-dimethyl-4-heptanol 243.24
    DEF 756.23
    dimethyl isosorbide 872.42
    tetrachloroethylene 1212.92
    eugenol 536.09
    triacetin 565.08
    span 80 438.9
    1,4-butanediol 172.96
    1,1-dichloroethane 1213.52
    2-methyl-1-pentanol 335.06
    methyl formate 451.44
    2-methyl-1-butanol 368.55
    n-decane 139.45
    butyronitrile 602.94
    3,7-dimethyl-1-octanol 333.65
    1-chlorooctane 393.97
    1-chlorotetradecane 197.44
    n-nonane 144.91
    undecane 109.31
    tert-butylcyclohexane 167.08
    cyclooctane 135.97
    cyclopentanol 621.76
    tetrahydropyran 1115.81
    tert-amyl methyl ether 459.03
    2,5,8-trioxanonane 690.38
    1-hexene 389.31
    2-isopropoxyethanol 354.91
    2,2,2-trifluoroethanol 176.62
    methyl butyrate 591.11

    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