2-Methyl-4-propylthiazole

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  • Identifiers

    CAS number
    41981-63-9

    Molecular formula
    C7H11NS

    SMILES
    CCCC1=CSC(=N1)C

  • Odor profile

    Fragrance
    Green 91.02%
    Vegetable 70.19%
    Nutty 56.91%
    Meaty 50.72%
    Roasted 48.28%
    Sulfurous 41.5%
    Earthy 39.85%
    Tropical 39.79%
    Tomato 36.67%
    Fruity 36.22%

     

    Flavor
    Green 64.29%
    Nutty 58.0%
    Roasted 56.22%
    Vegetable 44.59%
    Earthy 41.35%
    Meaty 32.37%
    Burnt 30.98%
    Coffee 30.41%
    Raw 29.7%
    Potato 29.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.39 (neutral)

    Molecular weight
    141.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 62.31 ˚C est.

  • Synonyms

    • 2-METHYL-4-PROPYLTHIAZOLE
    • 2-Methyl-4-propyl-1,3-thiazole
    • 41981-63-9
    • Thiazole, 2-methyl-4-propyl-
    • DTXSID80194794
    • SCHEMBL1107413
    • DTXCID20117285
    • RBA98163
    • MFCD26797022
    • 2-Methyl-4-propyl-1,3-thiazole #
    • SY198784
    • NS00031078
    • EN300-207017
    • G61127

  • Applications

    2-Methyl-4-propylthiazole (CAS 41981-63-9) is a thiazole derivative primarily used as an aroma/flavor ingredient and odorant in fragrance and flavor applications, and is also found in cosmetics and personal care products as well as household and cleaning formulations. It may serve as an intermediate or building block in organic synthesis for pharmaceutical and agricultural chemicals, and can function as a specialty building block for polymer and plastics-related chemistries. Use is typically driven by formulation goals and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.62
    methanol 177.72
    isopropanol 164.55
    water 0.61
    ethyl acetate 209.87
    n-propanol 184.79
    acetone 357.63
    n-butanol 203.14
    acetonitrile 207.53
    DMF 487.81
    toluene 320.53
    isobutanol 181.28
    1,4-dioxane 507.37
    methyl acetate 224.19
    THF 745.43
    2-butanone 291.44
    n-pentanol 189.69
    sec-butanol 189.2
    n-hexane 80.76
    ethylene glycol 58.12
    NMP 566.18
    cyclohexane 173.31
    DMSO 505.13
    n-butyl acetate 305.7
    n-octanol 212.25
    chloroform 1037.11
    n-propyl acetate 175.63
    acetic acid 184.34
    dichloromethane 823.06
    cyclohexanone 587.57
    propylene glycol 95.68
    isopropyl acetate 146.22
    DMAc 388.49
    2-ethoxyethanol 181.21
    isopentanol 195.17
    n-heptane 118.05
    ethyl formate 153.4
    1,2-dichloroethane 418.69
    n-hexanol 345.76
    2-methoxyethanol 247.52
    isobutyl acetate 150.67
    tetrachloromethane 228.89
    n-pentyl acetate 201.15
    transcutol 504.35
    n-heptanol 168.35
    ethylbenzene 167.89
    MIBK 186.4
    2-propoxyethanol 346.37
    tert-butanol 228.68
    MTBE 239.51
    2-butoxyethanol 202.1
    propionic acid 174.55
    o-xylene 204.01
    formic acid 34.25
    diethyl ether 224.68
    m-xylene 208.12
    p-xylene 232.93
    chlorobenzene 407.49
    dimethyl carbonate 114.58
    n-octane 49.66
    formamide 48.4
    cyclopentanone 617.35
    2-pentanone 262.15
    anisole 262.38
    cyclopentyl methyl ether 370.49
    gamma-butyrolactone 531.34
    1-methoxy-2-propanol 241.89
    pyridine 476.94
    3-pentanone 227.09
    furfural 490.11
    n-dodecane 50.21
    diethylene glycol 224.61
    diisopropyl ether 98.81
    tert-amyl alcohol 208.76
    acetylacetone 290.21
    n-hexadecane 57.01
    acetophenone 251.65
    methyl propionate 195.15
    isopentyl acetate 256.82
    trichloroethylene 781.95
    n-nonanol 179.68
    cyclohexanol 303.21
    benzyl alcohol 214.7
    2-ethylhexanol 234.36
    isooctanol 140.81
    dipropyl ether 254.37
    1,2-dichlorobenzene 343.05
    ethyl lactate 111.15
    propylene carbonate 336.81
    n-methylformamide 140.44
    2-pentanol 150.93
    n-pentane 75.89
    1-propoxy-2-propanol 278.16
    1-methoxy-2-propyl acetate 262.3
    2-(2-methoxypropoxy) propanol 241.13
    mesitylene 143.1
    ε-caprolactone 419.75
    p-cymene 156.84
    epichlorohydrin 506.24
    1,1,1-trichloroethane 521.69
    2-aminoethanol 100.72
    morpholine-4-carbaldehyde 484.73
    sulfolane 719.51
    2,2,4-trimethylpentane 47.7
    2-methyltetrahydrofuran 517.2
    n-hexyl acetate 311.69
    isooctane 36.46
    2-(2-butoxyethoxy)ethanol 291.6
    sec-butyl acetate 129.32
    tert-butyl acetate 188.57
    decalin 86.97
    glycerin 126.55
    diglyme 456.64
    acrylic acid 160.37
    isopropyl myristate 169.46
    n-butyric acid 224.69
    acetyl acetate 164.73
    di(2-ethylhexyl) phthalate 171.02
    ethyl propionate 152.53
    nitromethane 238.45
    1,2-diethoxyethane 263.06
    benzonitrile 342.15
    trioctyl phosphate 125.21
    1-bromopropane 324.83
    gamma-valerolactone 552.38
    n-decanol 145.97
    triethyl phosphate 122.78
    4-methyl-2-pentanol 105.99
    propionitrile 211.59
    vinylene carbonate 331.55
    1,1,2-trichlorotrifluoroethane 337.17
    DMS 228.03
    cumene 129.07
    2-octanol 142.39
    2-hexanone 232.42
    octyl acetate 205.87
    limonene 245.32
    1,2-dimethoxyethane 363.3
    ethyl orthosilicate 119.75
    tributyl phosphate 142.62
    diacetone alcohol 206.13
    N,N-dimethylaniline 215.4
    acrylonitrile 230.27
    aniline 268.07
    1,3-propanediol 137.79
    bromobenzene 488.31
    dibromomethane 594.63
    1,1,2,2-tetrachloroethane 661.12
    2-methyl-cyclohexyl acetate 231.8
    tetrabutyl urea 200.11
    diisobutyl methanol 127.54
    2-phenylethanol 263.55
    styrene 216.45
    dioctyl adipate 208.88
    dimethyl sulfate 196.64
    ethyl butyrate 196.7
    methyl lactate 125.66
    butyl lactate 167.54
    diethyl carbonate 149.83
    propanediol butyl ether 218.33
    triethyl orthoformate 159.16
    p-tert-butyltoluene 150.61
    methyl 4-tert-butylbenzoate 247.83
    morpholine 456.32
    tert-butylamine 176.09
    n-dodecanol 126.66
    dimethoxymethane 265.46
    ethylene carbonate 260.67
    cyrene 260.27
    2-ethoxyethyl acetate 233.29
    2-ethylhexyl acetate 233.6
    1,2,4-trichlorobenzene 410.64
    4-methylpyridine 488.83
    dibutyl ether 242.37
    2,6-dimethyl-4-heptanol 127.54
    DEF 273.15
    dimethyl isosorbide 418.28
    tetrachloroethylene 432.83
    eugenol 242.4
    triacetin 268.29
    span 80 277.39
    1,4-butanediol 90.98
    1,1-dichloroethane 463.7
    2-methyl-1-pentanol 187.74
    methyl formate 134.04
    2-methyl-1-butanol 186.32
    n-decane 73.19
    butyronitrile 249.72
    3,7-dimethyl-1-octanol 194.33
    1-chlorooctane 200.31
    1-chlorotetradecane 101.55
    n-nonane 73.98
    undecane 58.55
    tert-butylcyclohexane 76.43
    cyclooctane 67.53
    cyclopentanol 316.22
    tetrahydropyran 518.11
    tert-amyl methyl ether 194.22
    2,5,8-trioxanonane 392.71
    1-hexene 190.27
    2-isopropoxyethanol 161.66
    2,2,2-trifluoroethanol 76.06
    methyl butyrate 203.83

    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