2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine

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  • Identifiers

    CAS number
    97073-02-4

    Molecular formula
    C13H15NO

    SMILES
    CC1=CC=C(O1)C2=C(C=C3N2CCC3)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 46.96%
    Animal 38.71%
    Burnt 34.79%
    Nutty 34.31%
    Earthy 33.88%
    Sweet 30.79%
    Musty 29.93%
    Fruity 26.5%
    Powdery 25.14%
    Coffee 24.84%

     

    Flavor
    Bitter 57.07%
    Roasted 39.66%
    Coffee 29.52%
    Earthy 27.78%
    Roast 24.97%
    Musty 24.93%
    Corn 23.83%
    Cereal 23.45%
    Very strong 23.19%
    Soybean 23.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.05 (weak base)

    Molecular weight
    201.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    314°C

    Flash point

    • 134.17 ˚C est.

  • Synonyms

    • 2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine
    • 97073-02-4
    • RefChem:244858
    • CHEBI:186647
    • LDTMEECXWUGWBZ-UHFFFAOYSA-N
    • DTXSID101191075
    • 5-(5-Methyl-2-furyl)-6-methyl-2,3-dihydro-1H-pyrrolizine
    • 6-Methyl-5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine
    • 6-methyl-5-(5-methyluran-2-yl)-2,3-dihydro-1H-pyrrolizine
    • 97073-02-4

  • Applications

    2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine is primarily used as a synthetic intermediate and building block in medicinal chemistry and complex organic synthesis; it is encountered in research and development settings for generating heterocyclic drug-like scaffolds. The compound may be evaluated for use in agrochemical discovery as a precursor to more elaborate heterocycles. Its furanyl substituent also makes it a candidate for fragrance research, where it can serve as a precursor for aroma-related compounds in fragrance or cosmetics development. It may also find use in specialty materials research where constrained bicyclic heterocycles are explored. Applications are typically limited to laboratory-scale synthesis and formulation development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 365.64
    methanol 516.72
    isopropanol 252.41
    water 10.45
    ethyl acetate 224.17
    n-propanol 351.2
    acetone 319.17
    n-butanol 324.22
    acetonitrile 272.55
    DMF 607.8
    toluene 321.73
    isobutanol 301.31
    1,4-dioxane 735.21
    methyl acetate 268.79
    THF 824.1
    2-butanone 273.07
    n-pentanol 247.71
    sec-butanol 246.35
    n-hexane 28.37
    ethylene glycol 171.52
    NMP 417.14
    cyclohexane 95.18
    DMSO 348.81
    n-butyl acetate 194.59
    n-octanol 159.05
    chloroform 2081.8
    n-propyl acetate 172.54
    acetic acid 303.26
    dichloromethane 1819.8
    cyclohexanone 482.36
    propylene glycol 193.5
    isopropyl acetate 140.99
    DMAc 390.02
    2-ethoxyethanol 335.04
    isopentanol 258.49
    n-heptane 28.7
    ethyl formate 288.5
    1,2-dichloroethane 724.0
    n-hexanol 251.21
    2-methoxyethanol 503.76
    isobutyl acetate 151.39
    tetrachloromethane 260.97
    n-pentyl acetate 159.77
    transcutol 569.5
    n-heptanol 140.08
    ethylbenzene 144.83
    MIBK 157.75
    2-propoxyethanol 375.05
    tert-butanol 219.99
    MTBE 192.52
    2-butoxyethanol 217.41
    propionic acid 235.26
    o-xylene 157.86
    formic acid 173.14
    diethyl ether 243.13
    m-xylene 174.23
    p-xylene 186.87
    chlorobenzene 468.33
    dimethyl carbonate 153.75
    n-octane 19.2
    formamide 224.2
    cyclopentanone 508.95
    2-pentanone 206.56
    anisole 250.65
    cyclopentyl methyl ether 330.9
    gamma-butyrolactone 606.94
    1-methoxy-2-propanol 333.75
    pyridine 668.08
    3-pentanone 179.54
    furfural 603.54
    n-dodecane 22.7
    diethylene glycol 335.61
    diisopropyl ether 69.96
    tert-amyl alcohol 192.73
    acetylacetone 248.46
    n-hexadecane 25.81
    acetophenone 212.41
    methyl propionate 220.16
    isopentyl acetate 193.55
    trichloroethylene 1324.26
    n-nonanol 137.57
    cyclohexanol 318.39
    benzyl alcohol 274.09
    2-ethylhexanol 144.24
    isooctanol 112.41
    dipropyl ether 127.65
    1,2-dichlorobenzene 371.56
    ethyl lactate 114.84
    propylene carbonate 399.56
    n-methylformamide 333.33
    2-pentanol 177.21
    n-pentane 36.5
    1-propoxy-2-propanol 210.22
    1-methoxy-2-propyl acetate 196.96
    2-(2-methoxypropoxy) propanol 185.92
    mesitylene 96.84
    ε-caprolactone 386.31
    p-cymene 87.16
    epichlorohydrin 786.12
    1,1,1-trichloroethane 528.87
    2-aminoethanol 277.9
    morpholine-4-carbaldehyde 486.65
    sulfolane 469.39
    2,2,4-trimethylpentane 25.26
    2-methyltetrahydrofuran 481.89
    n-hexyl acetate 231.85
    isooctane 17.29
    2-(2-butoxyethoxy)ethanol 279.23
    sec-butyl acetate 115.78
    tert-butyl acetate 134.14
    decalin 41.3
    glycerin 236.17
    diglyme 448.02
    acrylic acid 240.33
    isopropyl myristate 98.82
    n-butyric acid 313.49
    acetyl acetate 170.02
    di(2-ethylhexyl) phthalate 123.23
    ethyl propionate 146.43
    nitromethane 386.53
    1,2-diethoxyethane 230.88
    benzonitrile 346.27
    trioctyl phosphate 82.35
    1-bromopropane 398.1
    gamma-valerolactone 606.39
    n-decanol 106.04
    triethyl phosphate 82.54
    4-methyl-2-pentanol 112.84
    propionitrile 286.38
    vinylene carbonate 436.28
    1,1,2-trichlorotrifluoroethane 432.91
    DMS 210.29
    cumene 100.94
    2-octanol 106.17
    2-hexanone 167.52
    octyl acetate 129.7
    limonene 108.45
    1,2-dimethoxyethane 495.03
    ethyl orthosilicate 81.97
    tributyl phosphate 94.55
    diacetone alcohol 166.54
    N,N-dimethylaniline 170.29
    acrylonitrile 353.66
    aniline 316.97
    1,3-propanediol 308.04
    bromobenzene 526.14
    dibromomethane 1072.01
    1,1,2,2-tetrachloroethane 981.56
    2-methyl-cyclohexyl acetate 138.95
    tetrabutyl urea 124.25
    diisobutyl methanol 77.05
    2-phenylethanol 230.52
    styrene 188.36
    dioctyl adipate 131.42
    dimethyl sulfate 192.18
    ethyl butyrate 136.29
    methyl lactate 143.0
    butyl lactate 139.57
    diethyl carbonate 112.19
    propanediol butyl ether 218.98
    triethyl orthoformate 105.38
    p-tert-butyltoluene 79.19
    methyl 4-tert-butylbenzoate 180.64
    morpholine 646.42
    tert-butylamine 162.96
    n-dodecanol 85.68
    dimethoxymethane 417.23
    ethylene carbonate 360.05
    cyrene 209.79
    2-ethoxyethyl acetate 221.71
    2-ethylhexyl acetate 154.88
    1,2,4-trichlorobenzene 411.16
    4-methylpyridine 543.12
    dibutyl ether 139.42
    2,6-dimethyl-4-heptanol 77.05
    DEF 226.62
    dimethyl isosorbide 280.99
    tetrachloroethylene 680.39
    eugenol 201.8
    triacetin 172.47
    span 80 181.63
    1,4-butanediol 200.36
    1,1-dichloroethane 632.98
    2-methyl-1-pentanol 226.37
    methyl formate 319.29
    2-methyl-1-butanol 264.85
    n-decane 33.06
    butyronitrile 324.46
    3,7-dimethyl-1-octanol 135.26
    1-chlorooctane 117.21
    1-chlorotetradecane 59.03
    n-nonane 30.77
    undecane 26.75
    tert-butylcyclohexane 33.63
    cyclooctane 31.21
    cyclopentanol 333.52
    tetrahydropyran 567.35
    tert-amyl methyl ether 144.5
    2,5,8-trioxanonane 310.99
    1-hexene 110.79
    2-isopropoxyethanol 221.7
    2,2,2-trifluoroethanol 158.79
    methyl butyrate 206.76

    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