3-(2-Furanylmethyl)-1H-pyrrole

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  • Identifiers

    CAS number
    118248-36-5

    Molecular formula
    C9H9NO

    SMILES
    C1=COC(=C1)CC2=CNC=C2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.1%
    Earthy 49.79%
    Green 48.13%
    Roasted 46.84%
    Burnt 45.69%
    Floral 43.69%
    Coffee 37.84%
    Mushroom 35.2%
    Nutty 34.72%
    Vegetable 29.37%

     

    Flavor
    Green 67.42%
    Fruity 58.41%
    Waxy 51.33%
    Coffee 49.88%
    Vegetable 48.39%
    Earthy 39.88%
    Nutty 35.71%
    Mushroom 34.58%
    Fatty 30.71%
    Roasted 29.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.47 (neutral)

    Molecular weight
    147.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point

    • 126.13 ˚C est.

  • Synonyms

    • 3-(2-Furanylmethyl)-1H-pyrrole
    • 3-furfurylpyrrole
    • 118248-36-5
    • 2-furyl-3-pyrrolylmethane
    • CHEBI:168522
    • JDTQSHKXSIWHGV-UHFFFAOYSA-N
    • 3-(uran-2-ylmethyl)-1H-pyrrole
    • DTXSID401306047
    • 3-(furan-2-ylmethyl)-1H-pyrrole
    • 3-[(Furan-2-yl)methyl]-1H-pyrrole
    • AKOS006373229
    • 118248-36-5

  • Applications

    3-(2-Furanylmethyl)-1H-pyrrole (CAS 118248-36-5) is a useful synthetic building block that may be used as an intermediate for heteroaromatic compounds featuring a pyrrole and a furyl moiety. In industry, it is commonly evaluated for applications in fragrance and cosmetics as an intermediate or component for novel aroma compounds; it may also serve as a precursor for pharmaceutical synthesis and for polymer materials based on pyrrole and furan, including derivatives for plastics and coatings; in the coatings/inks sector, it could function as an intermediate for specialty products or dye precursors; following functionalization, it is being explored for organic electronic applications and conducting materials derived from this heterocyclic framework. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 192.88
    methanol 278.57
    isopropanol 137.2
    water 11.97
    ethyl acetate 58.61
    n-propanol 159.29
    acetone 126.84
    n-butanol 119.71
    acetonitrile 110.13
    DMF 471.77
    toluene 26.15
    isobutanol 115.24
    1,4-dioxane 157.42
    methyl acetate 87.6
    THF 159.05
    2-butanone 105.89
    n-pentanol 104.1
    sec-butanol 113.53
    n-hexane 2.28
    ethylene glycol 205.06
    NMP 140.09
    cyclohexane 4.3
    DMSO 419.65
    n-butyl acetate 27.0
    n-octanol 42.89
    chloroform 98.53
    n-propyl acetate 38.54
    acetic acid 137.21
    dichloromethane 101.4
    cyclohexanone 93.05
    propylene glycol 248.42
    isopropyl acetate 31.57
    DMAc 434.19
    2-ethoxyethanol 197.87
    isopentanol 88.42
    n-heptane 5.32
    ethyl formate 60.71
    1,2-dichloroethane 46.39
    n-hexanol 71.66
    2-methoxyethanol 308.07
    isobutyl acetate 31.55
    tetrachloromethane 13.38
    n-pentyl acetate 23.35
    transcutol 271.28
    n-heptanol 39.5
    ethylbenzene 17.6
    MIBK 42.23
    2-propoxyethanol 150.41
    tert-butanol 134.16
    MTBE 49.66
    2-butoxyethanol 86.56
    propionic acid 114.61
    o-xylene 26.08
    formic acid 94.4
    diethyl ether 39.15
    m-xylene 23.76
    p-xylene 26.85
    chlorobenzene 30.89
    dimethyl carbonate 56.48
    n-octane 2.31
    formamide 145.71
    cyclopentanone 114.7
    2-pentanone 65.73
    anisole 64.51
    cyclopentyl methyl ether 60.13
    gamma-butyrolactone 108.55
    1-methoxy-2-propanol 227.37
    pyridine 116.03
    3-pentanone 58.11
    furfural 132.73
    n-dodecane 3.14
    diethylene glycol 179.01
    diisopropyl ether 11.96
    tert-amyl alcohol 100.81
    acetylacetone 67.18
    n-hexadecane 3.33
    acetophenone 64.36
    methyl propionate 80.08
    isopentyl acetate 30.65
    trichloroethylene 99.93
    n-nonanol 39.86
    cyclohexanol 69.49
    benzyl alcohol 86.91
    2-ethylhexanol 39.53
    isooctanol 32.45
    dipropyl ether 35.68
    1,2-dichlorobenzene 30.48
    ethyl lactate 51.38
    propylene carbonate 61.43
    n-methylformamide 201.67
    2-pentanol 61.19
    n-pentane 2.62
    1-propoxy-2-propanol 94.85
    1-methoxy-2-propyl acetate 52.93
    2-(2-methoxypropoxy) propanol 96.95
    mesitylene 14.58
    ε-caprolactone 65.84
    p-cymene 16.79
    epichlorohydrin 124.71
    1,1,1-trichloroethane 41.04
    2-aminoethanol 269.05
    morpholine-4-carbaldehyde 202.95
    sulfolane 127.52
    2,2,4-trimethylpentane 3.34
    2-methyltetrahydrofuran 88.03
    n-hexyl acetate 37.85
    isooctane 2.54
    2-(2-butoxyethoxy)ethanol 116.22
    sec-butyl acetate 27.57
    tert-butyl acetate 31.48
    decalin 4.07
    glycerin 274.77
    diglyme 184.44
    acrylic acid 117.77
    isopropyl myristate 21.21
    n-butyric acid 93.93
    acetyl acetate 34.09
    di(2-ethylhexyl) phthalate 31.91
    ethyl propionate 40.5
    nitromethane 185.81
    1,2-diethoxyethane 52.0
    benzonitrile 58.63
    trioctyl phosphate 21.15
    1-bromopropane 26.42
    gamma-valerolactone 148.49
    n-decanol 32.83
    triethyl phosphate 25.02
    4-methyl-2-pentanol 37.64
    propionitrile 93.56
    vinylene carbonate 67.2
    1,1,2-trichlorotrifluoroethane 145.64
    DMS 37.59
    cumene 16.64
    2-octanol 23.76
    2-hexanone 49.77
    octyl acetate 28.89
    limonene 21.68
    1,2-dimethoxyethane 200.04
    ethyl orthosilicate 24.22
    tributyl phosphate 23.22
    diacetone alcohol 74.73
    N,N-dimethylaniline 60.28
    acrylonitrile 129.01
    aniline 66.45
    1,3-propanediol 193.94
    bromobenzene 25.95
    dibromomethane 46.29
    1,1,2,2-tetrachloroethane 81.46
    2-methyl-cyclohexyl acetate 34.23
    tetrabutyl urea 38.77
    diisobutyl methanol 23.94
    2-phenylethanol 60.29
    styrene 21.38
    dioctyl adipate 35.27
    dimethyl sulfate 85.9
    ethyl butyrate 33.35
    methyl lactate 87.52
    butyl lactate 39.07
    diethyl carbonate 27.76
    propanediol butyl ether 103.1
    triethyl orthoformate 29.38
    p-tert-butyltoluene 15.51
    methyl 4-tert-butylbenzoate 56.48
    morpholine 189.72
    tert-butylamine 68.71
    n-dodecanol 27.03
    dimethoxymethane 178.78
    ethylene carbonate 51.18
    cyrene 90.92
    2-ethoxyethyl acetate 38.58
    2-ethylhexyl acetate 22.58
    1,2,4-trichlorobenzene 42.72
    4-methylpyridine 88.35
    dibutyl ether 26.27
    2,6-dimethyl-4-heptanol 23.94
    DEF 111.59
    dimethyl isosorbide 92.89
    tetrachloroethylene 50.57
    eugenol 65.07
    triacetin 54.72
    span 80 80.53
    1,4-butanediol 128.1
    1,1-dichloroethane 50.16
    2-methyl-1-pentanol 77.93
    methyl formate 124.56
    2-methyl-1-butanol 92.84
    n-decane 4.1
    butyronitrile 72.07
    3,7-dimethyl-1-octanol 39.24
    1-chlorooctane 14.82
    1-chlorotetradecane 8.31
    n-nonane 3.53
    undecane 3.48
    tert-butylcyclohexane 4.27
    cyclooctane 1.94
    cyclopentanol 89.81
    tetrahydropyran 86.41
    tert-amyl methyl ether 40.39
    2,5,8-trioxanonane 156.09
    1-hexene 12.89
    2-isopropoxyethanol 123.11
    2,2,2-trifluoroethanol 58.39
    methyl butyrate 55.47

    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