2-Acetyl-2-thiazoline

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  • Identifiers

    CAS number
    29926-41-8

    Molecular formula
    C5H7NOS

    SMILES
    CC(=O)C1=NCCS1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 78.06%
    Roasted 70.95%
    Green 63.77%
    Popcorn 57.43%
    Meaty 55.21%
    Vegetable 47.88%
    Herbal 42.89%
    Potato 37.42%
    Cooked 37.08%
    Onion 33.91%

     

    Flavor
    Nutty 82.79%
    Roasted 68.54%
    Roast 62.65%
    Popcorn 55.26%
    Cooked 51.4%
    Corn 50.74%
    Chip 48.68%
    Meaty 45.58%
    Potato 42.0%
    Toasted 41.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    5.92 (weak acid)

    Molecular weight
    129.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 25 - 26 °C

    Boiling point

    • 222.00 to 223.00 °C. @ 760.00 mm Hg

    Flash point

    • 102.93 ˚C est.

    Solubility expt.

    • Insoluble in water and heptane
    • Soluble (in ethanol)

  • Synonyms

    • 2-Acetyl-2-thiazoline
    • 29926-41-8
    • 1-(4,5-dihydrothiazol-2-yl)ethanone
    • 1-(4,5-Dihydro-1,3-thiazol-2-yl)ethanone
    • Ethanone, 1-(4,5-dihydro-2-thiazolyl)-
    • 2-Acetyl-4,5-dihydrothiazole
    • 2-acetylthiazoline
    • acetylthiazoline
    • UNII-TI3K1Q5Y1T
    • TI3K1Q5Y1T
    • Ketone, methyl 2-thiazolin-2-yl
    • 2-Thiazoline, 2-acetyl
    • 1-(4,5-dihydro-1,3-thiazol-2-yl)ethan-1-one
    • FEMA NO. 3817
    • FEMA 3817
    • DTXSID60184037
    • 2-ACETYL-2-THIAZOLINE [FHFI]
    • Methyl 2-thiazolin-2-yl ketone, 8CI
    • METHYL 2-THIAZOLIN-2-YL KETONE
    • 1-(4,5-Dihydro-2-thiazolyl)-Ethanone
    • 1-(4,5-Dihydro-2-thiazolyl)ethanone, 9CI
    • Corn thiazoline
    • MFCD00209496
    • 1-(4,5-dihydrothiazol-2-yl)ethan-1-one
    • SCHEMBL689553
    • 2-Acetyl-2-thiazoline, 99%
    • CHEBI:89714
    • DTXCID70106528
    • 2-Acetyl-2-thiazoline, >=96%
    • BCP17112
    • AKOS015898789
    • AC-6727
    • CS-W002515
    • 2-Acetyl-2-thiazoline, >=96%, FG
    • AS-35552
    • DB-003251
    • A3264
    • NS00121520
    • Q27161906
    • 629-682-3

  • Applications

    2-Acetyl-2-thiazoline (CAS 29926-41-8) is mainly employed as a flavoring ingredient that delivers the characteristic “roasted popcorn” note, adding cereal, toasted bread, roasted chicken, scorched rice, coffee and chocolate nuances; it is further utilized in compounded seasonings, sauces, snack foods, pet food, tobacco flavors, gourmand-type fragrances, and serves as a reference standard and Maillard reaction model compound in food technology research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.16
    methanol 312.7
    isopropanol 89.85
    water 10.6
    ethyl acetate 220.1
    n-propanol 109.29
    acetone 415.91
    n-butanol 98.33
    acetonitrile 404.06
    DMF 690.42
    toluene 174.41
    isobutanol 76.19
    1,4-dioxane 394.51
    methyl acetate 249.82
    THF 502.96
    2-butanone 228.43
    n-pentanol 81.44
    sec-butanol 72.71
    n-hexane 13.66
    ethylene glycol 104.65
    NMP 738.42
    cyclohexane 27.92
    DMSO 781.59
    n-butyl acetate 140.3
    n-octanol 55.01
    chloroform 882.59
    n-propyl acetate 134.31
    acetic acid 497.35
    dichloromethane 987.42
    cyclohexanone 409.43
    propylene glycol 63.87
    isopropyl acetate 131.4
    DMAc 444.28
    2-ethoxyethanol 220.78
    isopentanol 86.86
    n-heptane 14.74
    ethyl formate 214.2
    1,2-dichloroethane 478.1
    n-hexanol 72.88
    2-methoxyethanol 380.31
    isobutyl acetate 84.02
    tetrachloromethane 131.7
    n-pentyl acetate 109.34
    transcutol 660.64
    n-heptanol 43.71
    ethylbenzene 71.95
    MIBK 123.51
    2-propoxyethanol 200.69
    tert-butanol 100.4
    MTBE 91.58
    2-butoxyethanol 118.29
    propionic acid 182.74
    o-xylene 106.28
    formic acid 338.94
    diethyl ether 135.56
    m-xylene 110.8
    p-xylene 95.99
    chlorobenzene 344.44
    dimethyl carbonate 131.37
    n-octane 7.05
    formamide 420.82
    cyclopentanone 538.06
    2-pentanone 191.38
    anisole 194.37
    cyclopentyl methyl ether 228.68
    gamma-butyrolactone 671.72
    1-methoxy-2-propanol 229.95
    pyridine 527.12
    3-pentanone 164.69
    furfural 816.71
    n-dodecane 7.16
    diethylene glycol 235.26
    diisopropyl ether 46.08
    tert-amyl alcohol 76.73
    acetylacetone 347.74
    n-hexadecane 8.38
    acetophenone 215.64
    methyl propionate 195.55
    isopentyl acetate 121.21
    trichloroethylene 1052.63
    n-nonanol 48.89
    cyclohexanol 121.59
    benzyl alcohol 166.14
    2-ethylhexanol 54.83
    isooctanol 38.56
    dipropyl ether 78.75
    1,2-dichlorobenzene 328.52
    ethyl lactate 88.83
    propylene carbonate 302.93
    n-methylformamide 389.94
    2-pentanol 59.99
    n-pentane 15.85
    1-propoxy-2-propanol 129.51
    1-methoxy-2-propyl acetate 181.59
    2-(2-methoxypropoxy) propanol 148.37
    mesitylene 74.51
    ε-caprolactone 328.14
    p-cymene 52.53
    epichlorohydrin 620.92
    1,1,1-trichloroethane 419.42
    2-aminoethanol 126.39
    morpholine-4-carbaldehyde 721.95
    sulfolane 729.57
    2,2,4-trimethylpentane 9.9
    2-methyltetrahydrofuran 317.73
    n-hexyl acetate 140.86
    isooctane 7.99
    2-(2-butoxyethoxy)ethanol 199.83
    sec-butyl acetate 89.37
    tert-butyl acetate 150.06
    decalin 19.06
    glycerin 151.52
    diglyme 403.13
    acrylic acid 255.83
    isopropyl myristate 63.07
    n-butyric acid 202.03
    acetyl acetate 210.41
    di(2-ethylhexyl) phthalate 75.28
    ethyl propionate 124.4
    nitromethane 968.66
    1,2-diethoxyethane 187.31
    benzonitrile 319.13
    trioctyl phosphate 50.12
    1-bromopropane 173.27
    gamma-valerolactone 703.98
    n-decanol 36.66
    triethyl phosphate 78.79
    4-methyl-2-pentanol 44.25
    propionitrile 203.49
    vinylene carbonate 365.05
    1,1,2-trichlorotrifluoroethane 433.85
    DMS 182.86
    cumene 51.54
    2-octanol 35.09
    2-hexanone 124.39
    octyl acetate 76.29
    limonene 73.31
    1,2-dimethoxyethane 338.57
    ethyl orthosilicate 72.21
    tributyl phosphate 68.45
    diacetone alcohol 161.0
    N,N-dimethylaniline 137.94
    acrylonitrile 353.84
    aniline 203.35
    1,3-propanediol 156.34
    bromobenzene 378.18
    dibromomethane 528.23
    1,1,2,2-tetrachloroethane 587.59
    2-methyl-cyclohexyl acetate 107.4
    tetrabutyl urea 97.15
    diisobutyl methanol 41.58
    2-phenylethanol 126.35
    styrene 111.86
    dioctyl adipate 101.45
    dimethyl sulfate 255.62
    ethyl butyrate 119.61
    methyl lactate 129.77
    butyl lactate 92.94
    diethyl carbonate 93.08
    propanediol butyl ether 124.58
    triethyl orthoformate 94.34
    p-tert-butyltoluene 50.28
    methyl 4-tert-butylbenzoate 156.38
    morpholine 396.68
    tert-butylamine 63.93
    n-dodecanol 30.49
    dimethoxymethane 333.23
    ethylene carbonate 267.96
    cyrene 196.82
    2-ethoxyethyl acetate 191.34
    2-ethylhexyl acetate 100.98
    1,2,4-trichlorobenzene 371.44
    4-methylpyridine 457.85
    dibutyl ether 79.24
    2,6-dimethyl-4-heptanol 41.58
    DEF 268.55
    dimethyl isosorbide 294.36
    tetrachloroethylene 407.45
    eugenol 168.87
    triacetin 178.06
    span 80 130.53
    1,4-butanediol 80.3
    1,1-dichloroethane 383.0
    2-methyl-1-pentanol 74.99
    methyl formate 377.62
    2-methyl-1-butanol 75.94
    n-decane 10.71
    butyronitrile 179.73
    3,7-dimethyl-1-octanol 56.31
    1-chlorooctane 47.03
    1-chlorotetradecane 22.67
    n-nonane 10.13
    undecane 8.44
    tert-butylcyclohexane 16.31
    cyclooctane 11.47
    cyclopentanol 140.56
    tetrahydropyran 255.05
    tert-amyl methyl ether 86.37
    2,5,8-trioxanonane 277.07
    1-hexene 46.27
    2-isopropoxyethanol 136.42
    2,2,2-trifluoroethanol 219.88
    methyl butyrate 158.97

    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