5-(furan-2-yl)-3,4-dihydro-2H-pyrrole

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  • Identifiers

    CAS number
    104704-31-6

    Molecular formula
    C8H9NO

    SMILES
    C1CC(=NC1)C2=CC=CO2

    Safety labels

  • Odor profile

    Fragrance
    Roasted 72.18%
    Nutty 71.59%
    Popcorn 49.95%
    Meaty 41.61%
    Earthy 40.49%
    Coffee 39.97%
    Musty 39.58%
    Burnt 38.37%
    Caramellic 35.67%
    Hazelnut 34.35%

     

    Flavor
    Roasted 63.87%
    Nutty 48.55%
    Roast 46.81%
    Coffee 46.52%
    Nut 38.39%
    Corn 38.09%
    Chip 34.27%
    Musty 33.88%
    Fishy 33.29%
    Meaty 33.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.42 (neutral)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 91.2 ˚C est.

  • Synonyms

    • 104704-31-6
    • 5-(furan-2-yl)-3,4-dihydro-2H-pyrrole
    • 5-furan-2-yl-3,4-dihydro-2h-pyrrole
    • 5-(2-Furanyl)-3,4-dihydro-2H-pyrrole
    • 2-(2-furyl)-1-pyrroline
    • MFCD09749693
    • CHEBI:179148
    • RSWIYWDWUHQXIZ-UHFFFAOYSA-N
    • DTXSID301289254
    • AKOS005254770
    • 5-(2-furyl)-3,4-dihydro-2H-pyrrole
    • 5-(uran-2-yl)-3,4-dihydro-2H-pyrrole
    • 104704-31-6

  • Applications

    5-(furan-2-yl)-3,4-dihydro-2H-pyrrole (CAS 104704-31-6) is typically used as an intermediate or building block for the synthesis of pyrroline-containing heterocycles in pharmaceutical and medicinal chemistry; it also serves as a scaffold for library generation of pyrroline-containing heterocycles to support drug-discovery efforts; it can act as a precursor to diverse heterocyclic compounds via functionalization; in agricultural chemistry research it is considered as a scaffold for biologically active heterocycles; and it may be used as a research reagent or probe in chemical biology to explore structure-activity relationships, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 315.73
    methanol 553.08
    isopropanol 192.81
    water 5.43
    ethyl acetate 230.67
    n-propanol 237.3
    acetone 545.69
    n-butanol 204.93
    acetonitrile 382.64
    DMF 845.54
    toluene 181.02
    isobutanol 181.64
    1,4-dioxane 528.54
    methyl acetate 277.44
    THF 685.33
    2-butanone 347.24
    n-pentanol 169.97
    sec-butanol 166.28
    n-hexane 23.19
    ethylene glycol 220.25
    NMP 704.39
    cyclohexane 32.06
    DMSO 1169.39
    n-butyl acetate 157.18
    n-octanol 132.29
    chloroform 1244.91
    n-propyl acetate 179.88
    acetic acid 520.09
    dichloromethane 1336.65
    cyclohexanone 473.05
    propylene glycol 179.77
    isopropyl acetate 148.98
    DMAc 545.49
    2-ethoxyethanol 346.54
    isopentanol 176.05
    n-heptane 21.63
    ethyl formate 230.93
    1,2-dichloroethane 653.41
    n-hexanol 140.65
    2-methoxyethanol 577.91
    isobutyl acetate 122.82
    tetrachloromethane 143.79
    n-pentyl acetate 143.85
    transcutol 996.77
    n-heptanol 98.69
    ethylbenzene 103.44
    MIBK 176.58
    2-propoxyethanol 322.94
    tert-butanol 180.39
    MTBE 159.64
    2-butoxyethanol 218.9
    propionic acid 296.12
    o-xylene 116.36
    formic acid 250.48
    diethyl ether 182.63
    m-xylene 124.25
    p-xylene 144.64
    chlorobenzene 398.71
    dimethyl carbonate 180.79
    n-octane 14.67
    formamide 291.15
    cyclopentanone 631.92
    2-pentanone 258.76
    anisole 266.47
    cyclopentyl methyl ether 273.09
    gamma-butyrolactone 677.68
    1-methoxy-2-propanol 365.54
    pyridine 569.59
    3-pentanone 211.92
    furfural 768.53
    n-dodecane 18.67
    diethylene glycol 362.36
    diisopropyl ether 63.5
    tert-amyl alcohol 151.24
    acetylacetone 364.6
    n-hexadecane 20.86
    acetophenone 253.08
    methyl propionate 233.78
    isopentyl acetate 149.99
    trichloroethylene 1322.79
    n-nonanol 110.34
    cyclohexanol 186.49
    benzyl alcohol 230.94
    2-ethylhexanol 95.51
    isooctanol 87.89
    dipropyl ether 113.06
    1,2-dichlorobenzene 347.58
    ethyl lactate 146.13
    propylene carbonate 370.6
    n-methylformamide 409.02
    2-pentanol 130.07
    n-pentane 22.42
    1-propoxy-2-propanol 189.73
    1-methoxy-2-propyl acetate 185.22
    2-(2-methoxypropoxy) propanol 223.77
    mesitylene 81.64
    ε-caprolactone 364.0
    p-cymene 69.53
    epichlorohydrin 798.47
    1,1,1-trichloroethane 474.27
    2-aminoethanol 268.72
    morpholine-4-carbaldehyde 696.85
    sulfolane 939.82
    2,2,4-trimethylpentane 19.82
    2-methyltetrahydrofuran 381.2
    n-hexyl acetate 229.64
    isooctane 16.57
    2-(2-butoxyethoxy)ethanol 311.62
    sec-butyl acetate 115.27
    tert-butyl acetate 161.25
    decalin 31.91
    glycerin 316.99
    diglyme 563.3
    acrylic acid 386.54
    isopropyl myristate 97.77
    n-butyric acid 313.23
    acetyl acetate 195.19
    di(2-ethylhexyl) phthalate 110.84
    ethyl propionate 165.32
    nitromethane 772.95
    1,2-diethoxyethane 217.49
    benzonitrile 358.83
    trioctyl phosphate 77.15
    1-bromopropane 287.39
    gamma-valerolactone 707.69
    n-decanol 85.51
    triethyl phosphate 88.87
    4-methyl-2-pentanol 91.08
    propionitrile 271.42
    vinylene carbonate 400.02
    1,1,2-trichlorotrifluoroethane 579.85
    DMS 217.39
    cumene 82.79
    2-octanol 76.17
    2-hexanone 200.1
    octyl acetate 123.77
    limonene 91.77
    1,2-dimethoxyethane 448.03
    ethyl orthosilicate 79.19
    tributyl phosphate 92.8
    diacetone alcohol 211.9
    N,N-dimethylaniline 176.19
    acrylonitrile 439.76
    aniline 253.52
    1,3-propanediol 293.9
    bromobenzene 449.4
    dibromomethane 779.55
    1,1,2,2-tetrachloroethane 851.75
    2-methyl-cyclohexyl acetate 128.46
    tetrabutyl urea 123.87
    diisobutyl methanol 67.96
    2-phenylethanol 186.79
    styrene 152.99
    dioctyl adipate 142.71
    dimethyl sulfate 344.32
    ethyl butyrate 138.89
    methyl lactate 205.72
    butyl lactate 135.69
    diethyl carbonate 114.07
    propanediol butyl ether 265.62
    triethyl orthoformate 102.01
    p-tert-butyltoluene 64.22
    methyl 4-tert-butylbenzoate 206.66
    morpholine 483.42
    tert-butylamine 121.19
    n-dodecanol 69.37
    dimethoxymethane 424.67
    ethylene carbonate 279.26
    cyrene 233.0
    2-ethoxyethyl acetate 193.17
    2-ethylhexyl acetate 115.05
    1,2,4-trichlorobenzene 418.0
    4-methylpyridine 472.07
    dibutyl ether 135.93
    2,6-dimethyl-4-heptanol 67.96
    DEF 322.11
    dimethyl isosorbide 310.22
    tetrachloroethylene 544.47
    eugenol 226.73
    triacetin 241.78
    span 80 194.54
    1,4-butanediol 174.43
    1,1-dichloroethane 528.47
    2-methyl-1-pentanol 150.49
    methyl formate 382.28
    2-methyl-1-butanol 170.51
    n-decane 26.19
    butyronitrile 256.24
    3,7-dimethyl-1-octanol 116.0
    1-chlorooctane 101.37
    1-chlorotetradecane 48.88
    n-nonane 24.77
    undecane 21.61
    tert-butylcyclohexane 29.87
    cyclooctane 15.08
    cyclopentanol 243.14
    tetrahydropyran 334.42
    tert-amyl methyl ether 122.56
    2,5,8-trioxanonane 370.15
    1-hexene 89.78
    2-isopropoxyethanol 216.41
    2,2,2-trifluoroethanol 206.73
    methyl butyrate 228.31

    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