4-(1,3-Thiazol-2-yl)butan-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    933740-86-4

    Molecular formula
    C7H9NOS

    SMILES
    CC(=O)CCC1=NC=CS1

  • Odor profile

    Fragrance
    Nutty 83.46%
    Roasted 76.42%
    Meaty 60.65%
    Popcorn 52.33%
    Burnt 42.52%
    Hazelnut 41.38%
    Coffee 38.56%
    Cooked 33.86%
    Caramellic 33.52%
    Beefy 31.82%

     

    Flavor
    Nutty 53.81%
    Roasted 37.33%
    Fatty 37.05%
    Coffee 36.96%
    Vegetable 34.49%
    Earthy 33.72%
    Roast 33.35%
    Potato 31.56%
    Oily 29.01%
    Green 28.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    5.79 (weak acid)

    Molecular weight
    155.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 112.96 ˚C est.

  • Synonyms

    • 933740-86-4
    • 4-(1,3-thiazol-2-yl)butan-2-one
    • 2-Butanone, 4-(2-thiazolyl)-
    • SCHEMBL4574427
    • 4-(thiazol-2-yl)butan-2-one
    • IMB74086
    • AKOS017413463
    • DA-40398
    • EN300-1265835
    • F8884-7140

  • Applications

    4-(1,3-Thiazol-2-yl)butan-2-one is primarily used as an organic synthesis intermediate, enabling construction of more complex heterocyclic scaffolds that incorporate a thiazole motif. In pharmaceutical development, it serves as a building block for medicinal chemistry programs targeting heterocyclic compounds. In agrochemical research, it is evaluated as a precursor for novel biologically active agrochemicals. In fragrance and perfumery, it may be explored as a fragrance intermediate due to the thiazole-containing core contributing to distinctive notes. In polymer and materials chemistry, it can function as a functionalized ketone building block for downstream diversification and potential incorporation into polymerizable or cross-linkable platforms. Overall, its role is as an intermediate and building block for subsequent synthetic diversification, with use governed by local regulations and formulation constraints. CAS 933740-86-4.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 191.07
    methanol 368.13
    isopropanol 124.76
    water 35.31
    ethyl acetate 110.81
    n-propanol 113.88
    acetone 247.82
    n-butanol 102.29
    acetonitrile 265.27
    DMF 646.78
    toluene 84.27
    isobutanol 87.28
    1,4-dioxane 388.9
    methyl acetate 198.7
    THF 245.28
    2-butanone 181.29
    n-pentanol 77.55
    sec-butanol 93.04
    n-hexane 2.73
    ethylene glycol 114.4
    NMP 435.02
    cyclohexane 11.09
    DMSO 435.24
    n-butyl acetate 54.47
    n-octanol 51.95
    chloroform 305.52
    n-propyl acetate 65.66
    acetic acid 222.0
    dichloromethane 318.98
    cyclohexanone 234.03
    propylene glycol 101.73
    isopropyl acetate 53.13
    DMAc 735.27
    2-ethoxyethanol 196.2
    isopentanol 85.7
    n-heptane 4.88
    ethyl formate 144.92
    1,2-dichloroethane 129.59
    n-hexanol 55.64
    2-methoxyethanol 333.71
    isobutyl acetate 44.02
    tetrachloromethane 31.84
    n-pentyl acetate 48.17
    transcutol 415.79
    n-heptanol 37.94
    ethylbenzene 44.91
    MIBK 54.97
    2-propoxyethanol 141.72
    tert-butanol 113.63
    MTBE 65.22
    2-butoxyethanol 98.56
    propionic acid 138.68
    o-xylene 67.9
    formic acid 173.5
    diethyl ether 65.88
    m-xylene 50.12
    p-xylene 76.01
    chlorobenzene 121.53
    dimethyl carbonate 76.63
    n-octane 2.85
    formamide 276.35
    cyclopentanone 231.71
    2-pentanone 101.3
    anisole 145.57
    cyclopentyl methyl ether 96.81
    gamma-butyrolactone 255.67
    1-methoxy-2-propanol 186.44
    pyridine 327.69
    3-pentanone 91.83
    furfural 368.85
    n-dodecane 4.09
    diethylene glycol 159.95
    diisopropyl ether 15.63
    tert-amyl alcohol 88.54
    acetylacetone 130.63
    n-hexadecane 4.65
    acetophenone 151.36
    methyl propionate 115.3
    isopentyl acetate 50.44
    trichloroethylene 302.27
    n-nonanol 48.4
    cyclohexanol 106.27
    benzyl alcohol 152.91
    2-ethylhexanol 39.04
    isooctanol 32.55
    dipropyl ether 38.68
    1,2-dichlorobenzene 107.4
    ethyl lactate 56.42
    propylene carbonate 138.46
    n-methylformamide 291.96
    2-pentanol 49.48
    n-pentane 3.65
    1-propoxy-2-propanol 91.63
    1-methoxy-2-propyl acetate 73.99
    2-(2-methoxypropoxy) propanol 117.45
    mesitylene 27.25
    ε-caprolactone 181.79
    p-cymene 28.2
    epichlorohydrin 256.76
    1,1,1-trichloroethane 113.05
    2-aminoethanol 148.92
    morpholine-4-carbaldehyde 522.13
    sulfolane 255.67
    2,2,4-trimethylpentane 3.74
    2-methyltetrahydrofuran 158.18
    n-hexyl acetate 73.28
    isooctane 1.92
    2-(2-butoxyethoxy)ethanol 155.17
    sec-butyl acetate 41.52
    tert-butyl acetate 46.53
    decalin 7.89
    glycerin 155.72
    diglyme 292.29
    acrylic acid 159.25
    isopropyl myristate 31.96
    n-butyric acid 125.51
    acetyl acetate 80.54
    di(2-ethylhexyl) phthalate 47.96
    ethyl propionate 58.56
    nitromethane 402.74
    1,2-diethoxyethane 111.96
    benzonitrile 193.55
    trioctyl phosphate 28.98
    1-bromopropane 55.36
    gamma-valerolactone 396.04
    n-decanol 38.2
    triethyl phosphate 38.85
    4-methyl-2-pentanol 31.61
    propionitrile 144.28
    vinylene carbonate 168.34
    1,1,2-trichlorotrifluoroethane 230.63
    DMS 76.77
    cumene 32.63
    2-octanol 28.95
    2-hexanone 78.15
    octyl acetate 44.11
    limonene 37.37
    1,2-dimethoxyethane 316.71
    ethyl orthosilicate 36.64
    tributyl phosphate 35.21
    diacetone alcohol 83.2
    N,N-dimethylaniline 112.34
    acrylonitrile 225.98
    aniline 154.48
    1,3-propanediol 155.84
    bromobenzene 108.72
    dibromomethane 144.14
    1,1,2,2-tetrachloroethane 225.43
    2-methyl-cyclohexyl acetate 56.75
    tetrabutyl urea 59.51
    diisobutyl methanol 22.4
    2-phenylethanol 94.99
    styrene 65.45
    dioctyl adipate 58.2
    dimethyl sulfate 124.21
    ethyl butyrate 53.01
    methyl lactate 86.59
    butyl lactate 55.93
    diethyl carbonate 44.13
    propanediol butyl ether 112.58
    triethyl orthoformate 46.39
    p-tert-butyltoluene 24.17
    methyl 4-tert-butylbenzoate 87.17
    morpholine 375.29
    tert-butylamine 61.38
    n-dodecanol 30.58
    dimethoxymethane 214.04
    ethylene carbonate 125.98
    cyrene 135.43
    2-ethoxyethyl acetate 83.25
    2-ethylhexyl acetate 43.88
    1,2,4-trichlorobenzene 145.99
    4-methylpyridine 315.42
    dibutyl ether 47.85
    2,6-dimethyl-4-heptanol 22.4
    DEF 197.01
    dimethyl isosorbide 153.25
    tetrachloroethylene 145.69
    eugenol 106.63
    triacetin 97.72
    span 80 93.37
    1,4-butanediol 91.48
    1,1-dichloroethane 127.39
    2-methyl-1-pentanol 71.52
    methyl formate 209.36
    2-methyl-1-butanol 81.13
    n-decane 5.7
    butyronitrile 137.55
    3,7-dimethyl-1-octanol 48.96
    1-chlorooctane 23.98
    1-chlorotetradecane 12.83
    n-nonane 4.83
    undecane 4.67
    tert-butylcyclohexane 5.96
    cyclooctane 3.66
    cyclopentanol 113.9
    tetrahydropyran 184.35
    tert-amyl methyl ether 56.26
    2,5,8-trioxanonane 230.62
    1-hexene 16.95
    2-isopropoxyethanol 113.98
    2,2,2-trifluoroethanol 109.36
    methyl butyrate 94.09

    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