2-(5-Methyl-2-furanyl)pyrrolidine

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  • Identifiers

    CAS number
    118248-27-4

    Molecular formula
    C9H13NO

    SMILES
    CC1=CC=C(O1)C2CCCN2

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 49.84%
    Nutty 47.05%
    Animal 34.33%
    Fishy 34.31%
    Popcorn 31.48%
    Sweet 30.46%
    Meaty 30.3%
    Earthy 29.76%
    Burnt 29.02%
    Musty 27.29%

     

    Flavor
    Bitter 46.61%
    Roasted 46.09%
    Coffee 33.28%
    Meaty 27.32%
    Earthy 25.88%
    Roast 25.82%
    Alkaline 23.62%
    Cereal 23.52%
    Scallion 23.33%
    Animal 23.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.19 (neutral)

    Molecular weight
    151.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 89.37 ˚C est.

  • Synonyms

    • 2-(5-methylfuran-2-yl)pyrrolidine
    • 118248-27-4
    • 2-(5-Methyl-2-furanyl)pyrrolidine
    • DTXSID301300353
    • RefChem:458938
    • DTXCID801730476
    • 871-999-6
    • 2-(5-methyl-2-furyl)pyrrolidine
    • MFCD06653530
    • Pyrrolidine, 2-(5-methyl-2-furanyl)-
    • 2-(5-methyl2-furyl)pyrrolidine
    • 4DB9L43G2B
    • CHEMBL505086
    • SCHEMBL2710474
    • CHEBI:173413
    • LGGXPKQFJZIICN-UHFFFAOYSA-N
    • 2-(5-methyluran-2-yl)pyrrolidine
    • 2-Methyl-5-(2-pyrrolidinyl)furan
    • BBL021170
    • EBC-08390
    • STK893876
    • AKOS001476809
    • DA-27999
    • SY189883
    • CS-0261630
    • EN300-79349
    • 2-(5-Methyl-2-furanyl)pyrrolidine, (+/-)-
    • G22257
    • Z1198169089
    • 118248-27-4

  • Applications

    2-(5-Methyl-2-furanyl)pyrrolidine (CAS 118248-27-4) is principally used as a synthetic intermediate in pharmaceuticals, serving as a building block for drug-like molecules bearing a pyrrolidine core and a furan substituent; it is also considered a potential intermediate for agrochemical products; it may be used as a fragrance-related intermediate in perfumery, in the form of a molecule with a furan ring linked to an amino function; it also serves as a building block for polymers and functional materials development; and it is commonly employed in research and development for the synthesis of complex heterocyclic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.46
    methanol 395.59
    isopropanol 148.0
    water 5.69
    ethyl acetate 78.84
    n-propanol 183.29
    acetone 143.76
    n-butanol 151.75
    acetonitrile 141.21
    DMF 269.66
    toluene 79.87
    isobutanol 137.0
    1,4-dioxane 195.1
    methyl acetate 84.84
    THF 294.72
    2-butanone 108.72
    n-pentanol 130.05
    sec-butanol 119.42
    n-hexane 10.89
    ethylene glycol 127.97
    NMP 225.05
    cyclohexane 23.95
    DMSO 326.1
    n-butyl acetate 83.53
    n-octanol 95.25
    chloroform 646.98
    n-propyl acetate 60.0
    acetic acid 244.05
    dichloromethane 561.9
    cyclohexanone 185.89
    propylene glycol 161.18
    isopropyl acetate 53.8
    DMAc 219.33
    2-ethoxyethanol 164.9
    isopentanol 122.7
    n-heptane 15.57
    ethyl formate 96.72
    1,2-dichloroethane 181.21
    n-hexanol 141.14
    2-methoxyethanol 240.8
    isobutyl acetate 52.21
    tetrachloromethane 75.32
    n-pentyl acetate 60.91
    transcutol 335.55
    n-heptanol 75.09
    ethylbenzene 45.64
    MIBK 66.08
    2-propoxyethanol 199.3
    tert-butanol 121.14
    MTBE 71.76
    2-butoxyethanol 118.92
    propionic acid 151.06
    o-xylene 55.3
    formic acid 105.91
    diethyl ether 73.26
    m-xylene 58.05
    p-xylene 59.78
    chlorobenzene 147.8
    dimethyl carbonate 49.71
    n-octane 9.17
    formamide 101.63
    cyclopentanone 222.11
    2-pentanone 84.78
    anisole 94.01
    cyclopentyl methyl ether 109.5
    gamma-butyrolactone 238.76
    1-methoxy-2-propanol 183.63
    pyridine 229.01
    3-pentanone 67.39
    furfural 279.81
    n-dodecane 11.8
    diethylene glycol 200.7
    diisopropyl ether 25.29
    tert-amyl alcohol 99.35
    acetylacetone 101.22
    n-hexadecane 12.9
    acetophenone 96.83
    methyl propionate 77.48
    isopentyl acetate 77.44
    trichloroethylene 401.74
    n-nonanol 81.26
    cyclohexanol 118.65
    benzyl alcohol 119.93
    2-ethylhexanol 74.9
    isooctanol 59.17
    dipropyl ether 63.35
    1,2-dichlorobenzene 126.31
    ethyl lactate 69.47
    propylene carbonate 160.56
    n-methylformamide 143.91
    2-pentanol 82.91
    n-pentane 13.56
    1-propoxy-2-propanol 131.5
    1-methoxy-2-propyl acetate 94.46
    2-(2-methoxypropoxy) propanol 131.19
    mesitylene 35.97
    ε-caprolactone 146.58
    p-cymene 41.7
    epichlorohydrin 246.01
    1,1,1-trichloroethane 156.45
    2-aminoethanol 183.69
    morpholine-4-carbaldehyde 214.12
    sulfolane 287.52
    2,2,4-trimethylpentane 11.23
    2-methyltetrahydrofuran 160.48
    n-hexyl acetate 97.35
    isooctane 9.46
    2-(2-butoxyethoxy)ethanol 170.45
    sec-butyl acetate 43.83
    tert-butyl acetate 57.48
    decalin 15.76
    glycerin 191.28
    diglyme 236.14
    acrylic acid 158.89
    isopropyl myristate 52.26
    n-butyric acid 170.33
    acetyl acetate 68.75
    di(2-ethylhexyl) phthalate 70.61
    ethyl propionate 56.57
    nitromethane 209.02
    1,2-diethoxyethane 91.4
    benzonitrile 154.68
    trioctyl phosphate 51.85
    1-bromopropane 119.06
    gamma-valerolactone 233.48
    n-decanol 64.41
    triethyl phosphate 47.09
    4-methyl-2-pentanol 57.5
    propionitrile 123.51
    vinylene carbonate 166.16
    1,1,2-trichlorotrifluoroethane 206.62
    DMS 80.88
    cumene 40.23
    2-octanol 53.48
    2-hexanone 69.42
    octyl acetate 68.61
    limonene 54.8
    1,2-dimethoxyethane 181.76
    ethyl orthosilicate 43.6
    tributyl phosphate 54.61
    diacetone alcohol 84.96
    N,N-dimethylaniline 79.44
    acrylonitrile 168.04
    aniline 117.92
    1,3-propanediol 168.07
    bromobenzene 150.53
    dibromomethane 325.43
    1,1,2,2-tetrachloroethane 290.42
    2-methyl-cyclohexyl acetate 70.83
    tetrabutyl urea 71.52
    diisobutyl methanol 43.58
    2-phenylethanol 110.26
    styrene 60.65
    dioctyl adipate 76.67
    dimethyl sulfate 85.13
    ethyl butyrate 66.65
    methyl lactate 84.54
    butyl lactate 73.89
    diethyl carbonate 54.07
    propanediol butyl ether 151.32
    triethyl orthoformate 54.79
    p-tert-butyltoluene 38.65
    methyl 4-tert-butylbenzoate 104.1
    morpholine 194.6
    tert-butylamine 86.08
    n-dodecanol 53.18
    dimethoxymethane 149.23
    ethylene carbonate 120.27
    cyrene 127.23
    2-ethoxyethyl acetate 81.13
    2-ethylhexyl acetate 61.44
    1,2,4-trichlorobenzene 147.59
    4-methylpyridine 173.63
    dibutyl ether 64.83
    2,6-dimethyl-4-heptanol 43.58
    DEF 105.07
    dimethyl isosorbide 160.01
    tetrachloroethylene 201.35
    eugenol 116.34
    triacetin 108.53
    span 80 135.8
    1,4-butanediol 115.91
    1,1-dichloroethane 188.8
    2-methyl-1-pentanol 106.04
    methyl formate 116.56
    2-methyl-1-butanol 115.24
    n-decane 16.79
    butyronitrile 139.6
    3,7-dimethyl-1-octanol 76.97
    1-chlorooctane 55.85
    1-chlorotetradecane 28.93
    n-nonane 15.33
    undecane 13.69
    tert-butylcyclohexane 15.21
    cyclooctane 10.09
    cyclopentanol 149.05
    tetrahydropyran 155.79
    tert-amyl methyl ether 59.0
    2,5,8-trioxanonane 191.51
    1-hexene 43.39
    2-isopropoxyethanol 106.51
    2,2,2-trifluoroethanol 80.54
    methyl butyrate 74.15

    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