2-Propionylthiazole

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  • Identifiers

    CAS number
    43039-98-1

    Molecular formula
    C6H7NOS

    SMILES
    CCC(=O)C1=NC=CS1

  • Odor profile

    Fragrance
    Nutty 73.79%
    Roasted 54.1%
    Popcorn 43.6%
    Green 41.64%
    Meaty 38.0%
    Hazelnut 30.83%
    Caramellic 29.18%
    Burnt 28.5%
    Cooked 27.82%
    Coffee 27.63%

     

    Flavor
    Nutty 72.82%
    Roast 52.71%
    Popcorn 51.39%
    Roasted 47.88%
    Hazelnut 38.85%
    Corn 38.55%
    Chip 38.0%
    Coffee 36.65%
    Nut 35.69%
    Cooked 33.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.84 (weak acid)

    Molecular weight
    141.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 84.02 ˚C est.

    Solubility expt.

    • Insoluble in water; Soluble in fats, oils, most organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-Propionylthiazole
    • 43039-98-1
    • 1-(Thiazol-2-yl)propan-1-one
    • 1-(1,3-thiazol-2-yl)propan-1-one
    • 2-Propionyl thiazole
    • 1-Propanone, 1-(2-thiazolyl)-
    • Thiazole, 2-propionyl-
    • Ethyl 2-thiazolyl ketone
    • 1-(2-Thiazolyl)-1-propanone
    • FEMA No. 3611
    • BRN 0507838
    • 2-propionylthiazol
    • 2-Propanoylthiazole
    • 05CB62UH9K
    • 2-Propanoyl-thiazole
    • 2-(1-propanonyl)thiazole
    • PROPIONYLTHIAZOLE, 2-
    • DTXSID90195651
    • 2-PROPIONYLTHIAZOLE [FHFI]
    • UNII-05CB62UH9K
    • MFCD01681404
    • 2-Propionyl-Thiazole
    • 2-Thiazolyl-1-propanone
    • Thiazole, 2-(1-oxopropyl)
    • SCHEMBL3504222
    • 2-propionylthiazole, AldrichCPR
    • FEMA 3611
    • DTXCID30118142
    • ALBB-015272
    • 1-(2-Thiazolyl)-1-propanone, 9CI
    • AKOS000320677
    • DS-6098
    • CS-0152648
    • NS00022186
    • P2247
    • F53520
    • EN300-1268903
    • Q27236105

  • Applications

    2-Propionylthiazole (CAS 43039-98-1) is used primarily as an aroma and flavor ingredient, serving as a fragrance component in perfumery and flavor formulations, and is also evaluated as a building block for thiazole derivatives in pharmaceutical and industrial chemical synthesis. In cosmetics and personal care, it may function as an odorant additive; in household products, coatings, and inks it can be used to impart or stabilize fragrance. As an industrial intermediate for heterocyclic synthesis, it may serve as a precursor to further functionalized thiazole compounds for materials and polymer applications, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.71
    methanol 480.19
    isopropanol 165.52
    water 16.65
    ethyl acetate 407.19
    n-propanol 177.8
    acetone 890.64
    n-butanol 168.25
    acetonitrile 695.96
    DMF 1746.13
    toluene 224.35
    isobutanol 140.64
    1,4-dioxane 637.46
    methyl acetate 485.51
    THF 659.42
    2-butanone 500.7
    n-pentanol 170.56
    sec-butanol 146.64
    n-hexane 26.29
    ethylene glycol 192.75
    NMP 1438.55
    cyclohexane 31.41
    DMSO 1501.64
    n-butyl acetate 268.93
    n-octanol 146.68
    chloroform 1155.23
    n-propyl acetate 364.91
    acetic acid 558.73
    dichloromethane 1301.33
    cyclohexanone 779.46
    propylene glycol 123.35
    isopropyl acetate 245.13
    DMAc 1096.98
    2-ethoxyethanol 450.17
    isopentanol 155.52
    n-heptane 22.46
    ethyl formate 397.16
    1,2-dichloroethane 798.73
    n-hexanol 139.12
    2-methoxyethanol 619.49
    isobutyl acetate 208.93
    tetrachloromethane 210.61
    n-pentyl acetate 258.62
    transcutol 901.7
    n-heptanol 109.27
    ethylbenzene 150.9
    MIBK 246.93
    2-propoxyethanol 364.1
    tert-butanol 181.45
    MTBE 198.77
    2-butoxyethanol 271.21
    propionic acid 331.56
    o-xylene 172.19
    formic acid 321.08
    diethyl ether 224.36
    m-xylene 175.33
    p-xylene 229.38
    chlorobenzene 529.2
    dimethyl carbonate 310.52
    n-octane 17.05
    formamide 504.42
    cyclopentanone 984.28
    2-pentanone 407.46
    anisole 364.87
    cyclopentyl methyl ether 318.44
    gamma-butyrolactone 1146.38
    1-methoxy-2-propanol 408.01
    pyridine 735.66
    3-pentanone 364.37
    furfural 1261.1
    n-dodecane 19.2
    diethylene glycol 416.48
    diisopropyl ether 90.77
    tert-amyl alcohol 167.56
    acetylacetone 671.68
    n-hexadecane 22.35
    acetophenone 462.91
    methyl propionate 412.98
    isopentyl acetate 231.59
    trichloroethylene 1706.72
    n-nonanol 122.22
    cyclohexanol 184.91
    benzyl alcohol 323.73
    2-ethylhexanol 112.48
    isooctanol 102.34
    dipropyl ether 138.31
    1,2-dichlorobenzene 562.07
    ethyl lactate 210.95
    propylene carbonate 540.97
    n-methylformamide 749.37
    2-pentanol 120.47
    n-pentane 23.97
    1-propoxy-2-propanol 236.14
    1-methoxy-2-propyl acetate 289.63
    2-(2-methoxypropoxy) propanol 248.17
    mesitylene 127.52
    ε-caprolactone 641.71
    p-cymene 104.42
    epichlorohydrin 981.96
    1,1,1-trichloroethane 652.06
    2-aminoethanol 205.23
    morpholine-4-carbaldehyde 1256.78
    sulfolane 1542.93
    2,2,4-trimethylpentane 22.8
    2-methyltetrahydrofuran 415.16
    n-hexyl acetate 332.43
    isooctane 18.33
    2-(2-butoxyethoxy)ethanol 328.56
    sec-butyl acetate 209.92
    tert-butyl acetate 267.96
    decalin 36.09
    glycerin 274.97
    diglyme 706.44
    acrylic acid 431.34
    isopropyl myristate 127.36
    n-butyric acid 346.41
    acetyl acetate 347.41
    di(2-ethylhexyl) phthalate 135.81
    ethyl propionate 289.49
    nitromethane 1517.38
    1,2-diethoxyethane 315.02
    benzonitrile 624.69
    trioctyl phosphate 104.18
    1-bromopropane 280.35
    gamma-valerolactone 1234.32
    n-decanol 91.84
    triethyl phosphate 136.98
    4-methyl-2-pentanol 89.1
    propionitrile 402.99
    vinylene carbonate 646.33
    1,1,2-trichlorotrifluoroethane 782.97
    DMS 372.18
    cumene 118.56
    2-octanol 105.81
    2-hexanone 345.39
    octyl acetate 159.1
    limonene 129.45
    1,2-dimethoxyethane 699.68
    ethyl orthosilicate 125.9
    tributyl phosphate 128.76
    diacetone alcohol 294.44
    N,N-dimethylaniline 271.89
    acrylonitrile 716.09
    aniline 291.97
    1,3-propanediol 261.11
    bromobenzene 587.69
    dibromomethane 706.65
    1,1,2,2-tetrachloroethane 1065.2
    2-methyl-cyclohexyl acetate 184.05
    tetrabutyl urea 187.86
    diisobutyl methanol 81.51
    2-phenylethanol 229.42
    styrene 228.88
    dioctyl adipate 185.21
    dimethyl sulfate 639.25
    ethyl butyrate 220.69
    methyl lactate 276.28
    butyl lactate 210.74
    diethyl carbonate 173.54
    propanediol butyl ether 298.36
    triethyl orthoformate 159.01
    p-tert-butyltoluene 97.6
    methyl 4-tert-butylbenzoate 295.42
    morpholine 573.68
    tert-butylamine 120.81
    n-dodecanol 73.25
    dimethoxymethane 612.24
    ethylene carbonate 495.37
    cyrene 337.57
    2-ethoxyethyl acetate 340.8
    2-ethylhexyl acetate 196.12
    1,2,4-trichlorobenzene 630.63
    4-methylpyridine 750.87
    dibutyl ether 160.05
    2,6-dimethyl-4-heptanol 81.51
    DEF 633.81
    dimethyl isosorbide 427.43
    tetrachloroethylene 758.08
    eugenol 337.35
    triacetin 343.67
    span 80 212.08
    1,4-butanediol 174.45
    1,1-dichloroethane 615.9
    2-methyl-1-pentanol 159.92
    methyl formate 710.68
    2-methyl-1-butanol 146.42
    n-decane 27.98
    butyronitrile 369.58
    3,7-dimethyl-1-octanol 121.91
    1-chlorooctane 121.8
    1-chlorotetradecane 55.25
    n-nonane 26.99
    undecane 22.53
    tert-butylcyclohexane 35.58
    cyclooctane 15.96
    cyclopentanol 225.98
    tetrahydropyran 337.17
    tert-amyl methyl ether 173.84
    2,5,8-trioxanonane 438.64
    1-hexene 104.01
    2-isopropoxyethanol 312.34
    2,2,2-trifluoroethanol 310.59
    methyl butyrate 420.09

    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