4-Methyl-3-thiazoline

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  • Identifiers

    CAS number
    52558-99-3

    Molecular formula
    C4H7NS

    SMILES
    CC1=NCSC1

  • Odor profile

    Fragrance
    Meaty 60.21%
    Roasted 58.67%
    Nutty 56.34%
    Vegetable 53.41%
    Sulfurous 51.26%
    Onion 39.45%
    Cooked 38.69%
    Garlic 36.98%
    Alliaceous 34.15%
    Popcorn 33.65%

     

    Flavor
    Nutty 59.13%
    Roasted 56.25%
    Vegetable 45.4%
    Meaty 42.29%
    Green 42.07%
    Roast 33.47%
    Sulfur 33.39%
    Onion 30.55%
    Potato 30.3%
    Garlic 29.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    5.58 (weak acid)

    Molecular weight
    101.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 52.35 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • 4-Methyl-3-thiazoline
    • 3-Thiazoline, 4-methyl-
    • FEMA No. 4644
    • UNII-3OA5TO72MI
    • 3OA5TO72MI
    • Thiazole, 2,5-dihydro-4-methyl-
    • 52558-99-3
    • DTXSID40200542
    • 4-methyl-2,5-dihydro-1,3-thiazole
    • 3-Thiazoline, 4-methyl
    • SCHEMBL256996
    • 4-Methyl-2,5-dihydrothiazole
    • DTXCID70123033
    • DB-242056
    • Q27257816

  • Applications

    4-Methyl-3-thiazoline (CAS 52558-99-3) is primarily used as an odorant in flavors and fragrances, contributing savory and roasted-meat notes to seasonings, broths, and snack formulations; it also serves as a fragrance ingredient in cosmetics and personal care products to impart warm, complex aroma; in industrial manufacturing, this compound is commonly used as an intermediate or precursor for the synthesis of heterocyclic thiazoline compounds; it may be evaluated as a building block in flavor and fragrance research and development, including applications in consumer household products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 590.09
    methanol 853.72
    isopropanol 350.3
    water 43.95
    ethyl acetate 477.55
    n-propanol 404.29
    acetone 1043.88
    n-butanol 304.99
    acetonitrile 947.02
    DMF 1084.38
    toluene 318.74
    isobutanol 241.21
    1,4-dioxane 1062.26
    methyl acetate 678.74
    THF 858.11
    2-butanone 632.74
    n-pentanol 202.31
    sec-butanol 285.17
    n-hexane 21.48
    ethylene glycol 353.55
    NMP 920.12
    cyclohexane 67.35
    DMSO 1076.92
    n-butyl acetate 197.13
    n-octanol 133.44
    chloroform 2444.9
    n-propyl acetate 189.79
    acetic acid 1006.96
    dichloromethane 1677.12
    cyclohexanone 631.65
    propylene glycol 394.81
    isopropyl acetate 206.44
    DMAc 936.63
    2-ethoxyethanol 458.14
    isopentanol 184.19
    n-heptane 34.59
    ethyl formate 352.15
    1,2-dichloroethane 677.59
    n-hexanol 200.05
    2-methoxyethanol 784.32
    isobutyl acetate 108.19
    tetrachloromethane 411.09
    n-pentyl acetate 165.8
    transcutol 1145.39
    n-heptanol 139.68
    ethylbenzene 91.37
    MIBK 154.81
    2-propoxyethanol 432.19
    tert-butanol 285.31
    MTBE 199.64
    2-butoxyethanol 287.18
    propionic acid 553.89
    o-xylene 181.9
    formic acid 578.31
    diethyl ether 344.27
    m-xylene 159.82
    p-xylene 141.63
    chlorobenzene 485.2
    dimethyl carbonate 216.64
    n-octane 13.6
    formamide 732.22
    cyclopentanone 862.38
    2-pentanone 367.13
    anisole 291.92
    cyclopentyl methyl ether 362.63
    gamma-butyrolactone 870.47
    1-methoxy-2-propanol 512.83
    pyridine 1043.25
    3-pentanone 350.39
    furfural 995.26
    n-dodecane 12.8
    diethylene glycol 446.12
    diisopropyl ether 68.95
    tert-amyl alcohol 225.81
    acetylacetone 471.7
    n-hexadecane 14.35
    acetophenone 270.14
    methyl propionate 413.7
    isopentyl acetate 141.53
    trichloroethylene 1582.99
    n-nonanol 121.36
    cyclohexanol 268.31
    benzyl alcohol 275.76
    2-ethylhexanol 112.02
    isooctanol 97.4
    dipropyl ether 157.65
    1,2-dichlorobenzene 382.02
    ethyl lactate 126.73
    propylene carbonate 383.45
    n-methylformamide 733.18
    2-pentanol 178.27
    n-pentane 34.39
    1-propoxy-2-propanol 296.64
    1-methoxy-2-propyl acetate 239.66
    2-(2-methoxypropoxy) propanol 218.03
    mesitylene 82.56
    ε-caprolactone 464.48
    p-cymene 78.11
    epichlorohydrin 832.07
    1,1,1-trichloroethane 842.35
    2-aminoethanol 471.78
    morpholine-4-carbaldehyde 942.55
    sulfolane 743.95
    2,2,4-trimethylpentane 16.82
    2-methyltetrahydrofuran 569.3
    n-hexyl acetate 202.04
    isooctane 10.08
    2-(2-butoxyethoxy)ethanol 342.3
    sec-butyl acetate 110.83
    tert-butyl acetate 164.49
    decalin 24.17
    glycerin 507.34
    diglyme 637.02
    acrylic acid 634.71
    isopropyl myristate 76.33
    n-butyric acid 478.02
    acetyl acetate 330.05
    di(2-ethylhexyl) phthalate 92.53
    ethyl propionate 176.62
    nitromethane 1542.11
    1,2-diethoxyethane 327.26
    benzonitrile 404.02
    trioctyl phosphate 57.09
    1-bromopropane 340.2
    gamma-valerolactone 1006.0
    n-decanol 90.8
    triethyl phosphate 77.45
    4-methyl-2-pentanol 85.05
    propionitrile 488.72
    vinylene carbonate 445.72
    1,1,2-trichlorotrifluoroethane 851.49
    DMS 197.96
    cumene 60.27
    2-octanol 81.82
    2-hexanone 204.14
    octyl acetate 111.18
    limonene 113.97
    1,2-dimethoxyethane 487.98
    ethyl orthosilicate 73.6
    tributyl phosphate 66.83
    diacetone alcohol 238.01
    N,N-dimethylaniline 171.59
    acrylonitrile 686.4
    aniline 501.55
    1,3-propanediol 414.64
    bromobenzene 488.27
    dibromomethane 985.9
    1,1,2,2-tetrachloroethane 1156.39
    2-methyl-cyclohexyl acetate 114.34
    tetrabutyl urea 97.39
    diisobutyl methanol 61.84
    2-phenylethanol 228.41
    styrene 152.11
    dioctyl adipate 115.96
    dimethyl sulfate 342.0
    ethyl butyrate 154.54
    methyl lactate 250.7
    butyl lactate 136.57
    diethyl carbonate 102.61
    propanediol butyl ether 271.02
    triethyl orthoformate 112.37
    p-tert-butyltoluene 73.81
    methyl 4-tert-butylbenzoate 196.52
    morpholine 964.46
    tert-butylamine 171.93
    n-dodecanol 69.6
    dimethoxymethane 473.9
    ethylene carbonate 326.82
    cyrene 228.17
    2-ethoxyethyl acetate 286.59
    2-ethylhexyl acetate 119.5
    1,2,4-trichlorobenzene 506.38
    4-methylpyridine 718.06
    dibutyl ether 126.71
    2,6-dimethyl-4-heptanol 61.84
    DEF 428.87
    dimethyl isosorbide 298.12
    tetrachloroethylene 825.53
    eugenol 202.84
    triacetin 253.46
    span 80 220.15
    1,4-butanediol 204.36
    1,1-dichloroethane 897.63
    2-methyl-1-pentanol 137.28
    methyl formate 502.89
    2-methyl-1-butanol 199.97
    n-decane 21.43
    butyronitrile 371.76
    3,7-dimethyl-1-octanol 107.4
    1-chlorooctane 84.04
    1-chlorotetradecane 35.6
    n-nonane 20.38
    undecane 15.82
    tert-butylcyclohexane 19.99
    cyclooctane 21.17
    cyclopentanol 355.71
    tetrahydropyran 607.66
    tert-amyl methyl ether 158.97
    2,5,8-trioxanonane 428.46
    1-hexene 78.24
    2-isopropoxyethanol 261.04
    2,2,2-trifluoroethanol 478.64
    methyl butyrate 212.35

    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