1-(2-Furyl)-3-(2-thienyl)-2-propen-1-one

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  • Identifiers

    CAS number
    13343-95-8

    Molecular formula
    C11H8O2S

    SMILES
    C1=COC(=C1)C(=O)/C=C/C2=CC=CS2

    Safety labels

  • Odor profile

    Fragrance
    Nutty 46.48%
    Caramellic 46.06%
    Burnt 45.35%
    Spicy 44.05%
    Roasted 42.06%
    Woody 41.09%
    Coffee 39.88%
    Meaty 35.54%
    Cooked 27.74%
    Savory 27.61%

     

    Flavor
    Nutty 42.99%
    Popcorn 35.97%
    Roast 30.82%
    Roasted 29.23%
    Corn 28.12%
    Cooked 27.98%
    Chocolate 26.85%
    Chip 26.29%
    Bread 26.21%
    Coffee 25.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    4.89 (weak acid)

    Molecular weight
    204.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 123.94 ˚C est.

  • Synonyms

    • 1-(2-Furyl)-3-(2-thienyl)-2-propen-1-one
    • 13343-95-8
    • EINECS 236-391-1
    • 2-Propen-1-one, 1-(2-furanyl)-3-(2-thienyl)-
    • RefChem:74154
    • 236-391-1
    • HIBLXINPOYYHFI-AATRIKPKSA-N
    • (E)-1-(furan-2-yl)-3-thiophen-2-ylprop-2-en-1-one
    • MFCD00016897
    • 1-(Furan-2-yl)-3-(thiophen-2-yl)prop-2-en-1-one
    • MLS001178859
    • SCHEMBL3593220
    • CHEMBL1895607
    • (2E)-1-(FURAN-2-YL)-3-(THIOPHEN-2-YL)PROP-2-EN-1-ONE
    • AKOS022192338
    • SMR000477543
    • ST50547983
    • AO-476/42431059
    • (E)-1-(2-furyl)-3-(2-thienyl)prop-2-en-1-one
    • (2E)-1-(2-furyl)-3-(2-thienyl)prop-2-en-1-one
    • (2E)-1-(2-Furyl)-3-(2-thienyl)-2-propen-1-one #
    • Z445129226
    • 13343-95-8

  • Applications

    1-(2-Furyl)-3-(2-thienyl)-2-propen-1-one, CAS 13343-95-8, is primarily an organic-synthesis intermediate and a building block for heteroaromatic and conjugated systems. In industry it serves as a precursor for dyes and pigments used in coatings and inks, and as a chromophore in polymeric materials. In materials science it is studied as a small-molecule component for organic electronics and optoelectronic applications. It is also used as a scaffold in medicinal chemistry research for chalcone-type compounds. Its use is subject to local regulations and formulation limitations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.46
    methanol 13.43
    isopropanol 7.93
    water 0.02
    ethyl acetate 58.31
    n-propanol 11.85
    acetone 53.21
    n-butanol 13.2
    acetonitrile 33.5
    DMF 94.13
    toluene 61.26
    isobutanol 9.32
    1,4-dioxane 100.5
    methyl acetate 73.51
    THF 131.6
    2-butanone 82.65
    n-pentanol 16.83
    sec-butanol 14.45
    n-hexane 1.03
    ethylene glycol 7.06
    NMP 100.06
    cyclohexane 2.84
    DMSO 85.42
    n-butyl acetate 52.35
    n-octanol 10.27
    chloroform 130.12
    n-propyl acetate 53.8
    acetic acid 30.31
    dichloromethane 140.36
    cyclohexanone 92.84
    propylene glycol 10.03
    isopropyl acetate 48.52
    DMAc 198.96
    2-ethoxyethanol 57.78
    isopentanol 20.03
    n-heptane 2.32
    ethyl formate 26.89
    1,2-dichloroethane 101.83
    n-hexanol 16.97
    2-methoxyethanol 71.7
    isobutyl acetate 40.83
    tetrachloromethane 6.84
    n-pentyl acetate 27.6
    transcutol 459.0
    n-heptanol 10.86
    ethylbenzene 30.42
    MIBK 54.7
    2-propoxyethanol 56.21
    tert-butanol 17.27
    MTBE 42.48
    2-butoxyethanol 37.03
    propionic acid 22.83
    o-xylene 36.08
    formic acid 11.75
    diethyl ether 35.66
    m-xylene 34.28
    p-xylene 35.17
    chlorobenzene 62.03
    dimethyl carbonate 43.04
    n-octane 1.06
    formamide 33.96
    cyclopentanone 96.23
    2-pentanone 60.21
    anisole 94.09
    cyclopentyl methyl ether 57.83
    gamma-butyrolactone 96.77
    1-methoxy-2-propanol 60.83
    pyridine 132.68
    3-pentanone 62.14
    furfural 128.94
    n-dodecane 1.55
    diethylene glycol 52.03
    diisopropyl ether 17.13
    tert-amyl alcohol 26.41
    acetylacetone 106.36
    n-hexadecane 1.89
    acetophenone 95.56
    methyl propionate 57.51
    isopentyl acetate 56.34
    trichloroethylene 246.21
    n-nonanol 11.91
    cyclohexanol 22.41
    benzyl alcohol 55.26
    2-ethylhexanol 19.83
    isooctanol 12.22
    dipropyl ether 26.7
    1,2-dichlorobenzene 63.94
    ethyl lactate 32.55
    propylene carbonate 59.71
    n-methylformamide 31.33
    2-pentanol 13.29
    n-pentane 1.02
    1-propoxy-2-propanol 45.58
    1-methoxy-2-propyl acetate 82.67
    2-(2-methoxypropoxy) propanol 85.59
    mesitylene 22.19
    ε-caprolactone 85.73
    p-cymene 21.56
    epichlorohydrin 172.42
    1,1,1-trichloroethane 62.14
    2-aminoethanol 13.17
    morpholine-4-carbaldehyde 172.06
    sulfolane 109.08
    2,2,4-trimethylpentane 2.94
    2-methyltetrahydrofuran 79.54
    n-hexyl acetate 38.57
    isooctane 2.01
    2-(2-butoxyethoxy)ethanol 96.63
    sec-butyl acetate 50.44
    tert-butyl acetate 66.12
    decalin 5.02
    glycerin 25.48
    diglyme 208.45
    acrylic acid 29.52
    isopropyl myristate 23.19
    n-butyric acid 29.55
    acetyl acetate 49.66
    di(2-ethylhexyl) phthalate 26.11
    ethyl propionate 51.41
    nitromethane 94.85
    1,2-diethoxyethane 94.74
    benzonitrile 63.05
    trioctyl phosphate 13.47
    1-bromopropane 36.21
    gamma-valerolactone 145.54
    n-decanol 10.03
    triethyl phosphate 32.73
    4-methyl-2-pentanol 16.11
    propionitrile 31.88
    vinylene carbonate 64.2
    1,1,2-trichlorotrifluoroethane 114.7
    DMS 65.95
    cumene 21.12
    2-octanol 8.4
    2-hexanone 57.35
    octyl acetate 23.73
    limonene 29.49
    1,2-dimethoxyethane 129.04
    ethyl orthosilicate 30.91
    tributyl phosphate 20.59
    diacetone alcohol 76.66
    N,N-dimethylaniline 59.99
    acrylonitrile 55.3
    aniline 53.87
    1,3-propanediol 19.82
    bromobenzene 68.65
    dibromomethane 73.98
    1,1,2,2-tetrachloroethane 148.26
    2-methyl-cyclohexyl acetate 51.35
    tetrabutyl urea 33.33
    diisobutyl methanol 17.5
    2-phenylethanol 49.36
    styrene 42.27
    dioctyl adipate 41.83
    dimethyl sulfate 72.64
    ethyl butyrate 50.25
    methyl lactate 38.54
    butyl lactate 28.85
    diethyl carbonate 38.7
    propanediol butyl ether 38.46
    triethyl orthoformate 41.47
    p-tert-butyltoluene 20.9
    methyl 4-tert-butylbenzoate 59.45
    morpholine 96.14
    tert-butylamine 11.37
    n-dodecanol 8.94
    dimethoxymethane 86.91
    ethylene carbonate 43.94
    cyrene 84.32
    2-ethoxyethyl acetate 64.31
    2-ethylhexyl acetate 45.57
    1,2,4-trichlorobenzene 88.31
    4-methylpyridine 107.0
    dibutyl ether 26.34
    2,6-dimethyl-4-heptanol 17.5
    DEF 84.53
    dimethyl isosorbide 134.83
    tetrachloroethylene 79.18
    eugenol 63.5
    triacetin 76.84
    span 80 48.83
    1,4-butanediol 10.05
    1,1-dichloroethane 60.93
    2-methyl-1-pentanol 25.37
    methyl formate 28.36
    2-methyl-1-butanol 18.08
    n-decane 1.98
    butyronitrile 26.76
    3,7-dimethyl-1-octanol 19.12
    1-chlorooctane 10.21
    1-chlorotetradecane 6.22
    n-nonane 1.46
    undecane 1.73
    tert-butylcyclohexane 4.38
    cyclooctane 1.66
    cyclopentanol 18.66
    tetrahydropyran 61.98
    tert-amyl methyl ether 47.62
    2,5,8-trioxanonane 161.79
    1-hexene 7.75
    2-isopropoxyethanol 46.25
    2,2,2-trifluoroethanol 15.84
    methyl butyrate 59.71

    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