2-Ethyl-2,5-dihydro-4-methylthiazole

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  • Identifiers

    CAS number
    41803-21-8

    Molecular formula
    C6H11NS

    SMILES
    CCC1N=C(CS1)C

  • Odor profile

    Fragrance
    Nutty 76.38%
    Meaty 71.42%
    Roasted 69.68%
    Vegetable 65.46%
    Sulfurous 52.37%
    Cocoa 45.94%
    Chocolate 44.4%
    Cooked 43.3%
    Potato 38.92%
    Onion 37.64%

     

    Flavor
    Green 59.41%
    Roasted 45.29%
    Vegetable 41.83%
    Nutty 40.13%
    Meaty 33.95%
    Sulfurous 32.85%
    Earthy 28.44%
    Potato 27.25%
    Onion 26.81%
    Tomato 24.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.87 (weak acid)

    Molecular weight
    129.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 68.61 ˚C est.

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 41803-21-8
    • 3-Thiazoline, 2-ethyl-4-methyl-
    • 2-Ethyl-2,5-dihydro-4-methylthiazole
    • UNII-70OP45638A
    • Thiazole, 2-ethyl-2,5-dihydro-4-methyl-
    • 70OP45638A
    • 2-Ethyl-4-methyl-2,5-dihydrothiazole
    • 3-Thiazoline, 2-ethyl-4-methyl-, (+/-)
    • FEMA NO. 4695
    • 2-Ethyl-2,5-dihydro-4-methylthiazole, (+/-)
    • 2-ethyl-4-methyl-2,5-dihydro-1,3-thiazole
    • 2-ETHYL-2,5-DIHYDRO-4-METHYLTHIAZOLE, (+/-)-
    • starbld0002184
    • 2-Ethyl-4-methyl-3-thiazolin
    • SCHEMBL1395895
    • (+/-)2-ethyl-2,5-dihydro-4-methylthiazole
    • 3-THIAZOLINE, 2-ETHYL-4-METHYL-, (+/-)-
    • Q27265883

  • Applications

    2-Ethyl-2,5-dihydro-4-methylthiazole (CAS 41803-21-8) is a heterocyclic compound primarily used as a synthetic intermediate in organic synthesis, serving as a building block for medicinal chemistry libraries and related agrochemical candidates; it may also be encountered in fragrance research as an odorant or fragrance precursor, and can function as a specialty precursor for polymer and coating formulations in research and development settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 549.03
    methanol 778.97
    isopropanol 406.2
    water 4.04
    ethyl acetate 737.26
    n-propanol 457.67
    acetone 1278.32
    n-butanol 431.84
    acetonitrile 860.66
    DMF 1229.0
    toluene 708.52
    isobutanol 369.21
    1,4-dioxane 1335.86
    methyl acetate 766.22
    THF 1785.87
    2-butanone 951.88
    n-pentanol 309.5
    sec-butanol 360.64
    n-hexane 70.34
    ethylene glycol 220.13
    NMP 1496.04
    cyclohexane 165.51
    DMSO 1681.53
    n-butyl acetate 585.71
    n-octanol 283.0
    chloroform 2807.14
    n-propyl acetate 392.65
    acetic acid 696.3
    dichloromethane 2310.73
    cyclohexanone 1540.95
    propylene glycol 282.8
    isopropyl acetate 495.89
    DMAc 1032.16
    2-ethoxyethanol 533.8
    isopentanol 370.45
    n-heptane 89.75
    ethyl formate 492.89
    1,2-dichloroethane 1137.54
    n-hexanol 433.01
    2-methoxyethanol 959.13
    isobutyl acetate 293.23
    tetrachloromethane 564.48
    n-pentyl acetate 417.74
    transcutol 1763.51
    n-heptanol 246.65
    ethylbenzene 243.02
    MIBK 466.9
    2-propoxyethanol 830.61
    tert-butanol 447.77
    MTBE 505.6
    2-butoxyethanol 466.16
    propionic acid 535.26
    o-xylene 373.23
    formic acid 251.35
    diethyl ether 540.19
    m-xylene 424.91
    p-xylene 324.56
    chlorobenzene 1096.24
    dimethyl carbonate 315.52
    n-octane 40.36
    formamide 284.59
    cyclopentanone 1683.63
    2-pentanone 760.1
    anisole 572.62
    cyclopentyl methyl ether 819.17
    gamma-butyrolactone 1609.53
    1-methoxy-2-propanol 741.82
    pyridine 1367.95
    3-pentanone 637.31
    furfural 1824.46
    n-dodecane 39.42
    diethylene glycol 648.33
    diisopropyl ether 208.24
    tert-amyl alcohol 368.78
    acetylacetone 1044.81
    n-hexadecane 46.59
    acetophenone 564.73
    methyl propionate 597.22
    isopentyl acetate 495.23
    trichloroethylene 2394.49
    n-nonanol 236.39
    cyclohexanol 529.67
    benzyl alcohol 471.6
    2-ethylhexanol 275.24
    isooctanol 196.33
    dipropyl ether 387.87
    1,2-dichlorobenzene 902.08
    ethyl lactate 226.75
    propylene carbonate 801.47
    n-methylformamide 615.48
    2-pentanol 291.6
    n-pentane 78.52
    1-propoxy-2-propanol 573.74
    1-methoxy-2-propyl acetate 636.63
    2-(2-methoxypropoxy) propanol 456.66
    mesitylene 270.64
    ε-caprolactone 1100.06
    p-cymene 215.99
    epichlorohydrin 1658.05
    1,1,1-trichloroethane 1390.53
    2-aminoethanol 335.67
    morpholine-4-carbaldehyde 1521.99
    sulfolane 1983.45
    2,2,4-trimethylpentane 52.39
    2-methyltetrahydrofuran 1170.32
    n-hexyl acetate 593.25
    isooctane 43.61
    2-(2-butoxyethoxy)ethanol 582.87
    sec-butyl acetate 294.18
    tert-butyl acetate 536.71
    decalin 93.4
    glycerin 444.2
    diglyme 1091.85
    acrylic acid 541.28
    isopropyl myristate 239.18
    n-butyric acid 680.1
    acetyl acetate 624.59
    di(2-ethylhexyl) phthalate 249.24
    ethyl propionate 332.77
    nitromethane 1239.86
    1,2-diethoxyethane 615.83
    benzonitrile 874.65
    trioctyl phosphate 163.52
    1-bromopropane 684.04
    gamma-valerolactone 1953.34
    n-decanol 172.2
    triethyl phosphate 202.88
    4-methyl-2-pentanol 194.05
    propionitrile 603.14
    vinylene carbonate 849.38
    1,1,2-trichlorotrifluoroethane 1131.96
    DMS 509.94
    cumene 179.8
    2-octanol 183.17
    2-hexanone 461.92
    octyl acetate 297.03
    limonene 319.61
    1,2-dimethoxyethane 835.66
    ethyl orthosilicate 187.29
    tributyl phosphate 202.63
    diacetone alcohol 554.27
    N,N-dimethylaniline 368.77
    acrylonitrile 804.18
    aniline 724.82
    1,3-propanediol 447.65
    bromobenzene 1286.24
    dibromomethane 1510.26
    1,1,2,2-tetrachloroethane 1818.19
    2-methyl-cyclohexyl acetate 341.78
    tetrabutyl urea 267.92
    diisobutyl methanol 171.8
    2-phenylethanol 507.9
    styrene 373.02
    dioctyl adipate 325.61
    dimethyl sulfate 572.49
    ethyl butyrate 383.09
    methyl lactate 346.81
    butyl lactate 317.61
    diethyl carbonate 255.12
    propanediol butyl ether 460.89
    triethyl orthoformate 273.56
    p-tert-butyltoluene 214.81
    methyl 4-tert-butylbenzoate 470.01
    morpholine 1197.53
    tert-butylamine 282.55
    n-dodecanol 135.67
    dimethoxymethane 768.14
    ethylene carbonate 638.11
    cyrene 444.04
    2-ethoxyethyl acetate 596.34
    2-ethylhexyl acetate 404.01
    1,2,4-trichlorobenzene 1064.22
    4-methylpyridine 1351.68
    dibutyl ether 354.81
    2,6-dimethyl-4-heptanol 171.8
    DEF 759.38
    dimethyl isosorbide 781.72
    tetrachloroethylene 1182.3
    eugenol 458.73
    triacetin 560.84
    span 80 450.05
    1,4-butanediol 209.98
    1,1-dichloroethane 1257.7
    2-methyl-1-pentanol 284.65
    methyl formate 531.57
    2-methyl-1-butanol 364.87
    n-decane 61.88
    butyronitrile 602.29
    3,7-dimethyl-1-octanol 273.96
    1-chlorooctane 246.37
    1-chlorotetradecane 110.7
    n-nonane 61.57
    undecane 47.82
    tert-butylcyclohexane 82.57
    cyclooctane 69.18
    cyclopentanol 597.72
    tetrahydropyran 1016.74
    tert-amyl methyl ether 397.26
    2,5,8-trioxanonane 759.13
    1-hexene 215.1
    2-isopropoxyethanol 392.2
    2,2,2-trifluoroethanol 283.46
    methyl butyrate 447.48

    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