5-acetyl-2,3-dihydro-1H-pyrrolizine

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  • Identifiers

    CAS number
    55041-85-5

    Molecular formula
    C9H11NO

    SMILES
    CC(=O)C1=CC=C2N1CCC2

  • Odor profile

    Fragrance
    Roasted 46.03%
    Nutty 45.26%
    Popcorn 43.96%
    Burnt 30.28%
    Sweet 28.42%
    Animal 27.49%
    Earthy 27.05%
    Musty 26.01%
    Caramellic 25.75%
    Powdery 24.41%

     

    Flavor
    Bitter 51.23%
    Roasted 38.15%
    Nutty 36.66%
    Roast 32.6%
    Corn 32.44%
    Popcorn 31.26%
    Chip 29.35%
    Bread crust 24.29%
    Taco 24.28%
    Toasted 24.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.17 (neutral)

    Molecular weight
    149.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    280°C

    Melting point expt.

    • 45.5 °C

    Flash point

    • 106.0 ˚C est.

  • Synonyms

    • 5-acetyl-2,3-dihydro-1H-pyrrolizine
    • 55041-85-5
    • 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
    • 5-acetyl-2,3-1H-pyrrolizine
    • 1-(2,3-dihydro-1H-pyrrolizin-5-yl)ethanone
    • 5-acetyl-2,3-dihydro-lH-pyrrolizine
    • Ethanone, 1-(2,3-dihydro-1H-pyrrolizin-5-yl)- (9CI)
    • RL6J23X93F
    • SCHEMBL16991626
    • DTXSID90335717
    • CHEBI:156152
    • NWSCEJHRUVCUSX-UHFFFAOYSA-N
    • DB-237447
    • 1-(2,3-dihydro-1H-pyrrolizin-5-yl)ethan-1-one
    • Ethanone, 1-(2,3-dihydro-1H-pyrrolizin-5-yl)-
    • 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)ethanone, 9CI

  • Applications

    5-acetyl-2,3-dihydro-1H-pyrrolizine is commonly used as a synthetic intermediate (building block) for heterocyclic chemistry, enabling the preparation of drug-like molecules and related scaffolds in pharmaceutical research and development. It may also serve as a precursor for agrochemical projects, providing a heterocyclic framework for functionalized derivatives. In materials science, it can be employed as a building block for specialty polymers or resin systems after suitable functionalization. The compound may additionally be used as a precursor or intermediate in dye and pigment synthesis. In academic and industrial settings, it functions as a research reagent to explore new routes to bicyclic amine-containing compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 293.32
    methanol 582.81
    isopropanol 174.66
    water 67.29
    ethyl acetate 148.11
    n-propanol 228.74
    acetone 273.78
    n-butanol 183.17
    acetonitrile 305.56
    DMF 608.48
    toluene 116.97
    isobutanol 171.0
    1,4-dioxane 439.76
    methyl acetate 192.62
    THF 378.93
    2-butanone 192.64
    n-pentanol 133.07
    sec-butanol 147.13
    n-hexane 8.88
    ethylene glycol 282.74
    NMP 391.51
    cyclohexane 11.84
    DMSO 555.45
    n-butyl acetate 83.91
    n-octanol 84.0
    chloroform 1019.66
    n-propyl acetate 86.94
    acetic acid 235.04
    dichloromethane 1118.75
    cyclohexanone 259.23
    propylene glycol 187.2
    isopropyl acetate 95.68
    DMAc 388.86
    2-ethoxyethanol 305.29
    isopentanol 141.76
    n-heptane 8.05
    ethyl formate 177.15
    1,2-dichloroethane 476.41
    n-hexanol 109.01
    2-methoxyethanol 562.33
    isobutyl acetate 68.96
    tetrachloromethane 141.34
    n-pentyl acetate 85.49
    transcutol 481.67
    n-heptanol 74.88
    ethylbenzene 65.39
    MIBK 110.64
    2-propoxyethanol 281.14
    tert-butanol 151.58
    MTBE 103.34
    2-butoxyethanol 172.91
    propionic acid 181.7
    o-xylene 84.23
    formic acid 283.43
    diethyl ether 118.93
    m-xylene 90.04
    p-xylene 86.94
    chlorobenzene 240.07
    dimethyl carbonate 120.1
    n-octane 6.85
    formamide 341.01
    cyclopentanone 342.93
    2-pentanone 157.7
    anisole 176.88
    cyclopentyl methyl ether 158.89
    gamma-butyrolactone 402.9
    1-methoxy-2-propanol 326.89
    pyridine 350.33
    3-pentanone 132.96
    furfural 519.64
    n-dodecane 8.71
    diethylene glycol 336.13
    diisopropyl ether 38.24
    tert-amyl alcohol 118.34
    acetylacetone 225.63
    n-hexadecane 9.8
    acetophenone 154.92
    methyl propionate 158.54
    isopentyl acetate 86.76
    trichloroethylene 836.33
    n-nonanol 71.81
    cyclohexanol 124.2
    benzyl alcohol 168.73
    2-ethylhexanol 64.45
    isooctanol 62.75
    dipropyl ether 57.49
    1,2-dichlorobenzene 240.19
    ethyl lactate 95.81
    propylene carbonate 217.28
    n-methylformamide 396.82
    2-pentanol 99.6
    n-pentane 10.11
    1-propoxy-2-propanol 143.3
    1-methoxy-2-propyl acetate 122.06
    2-(2-methoxypropoxy) propanol 141.77
    mesitylene 60.09
    ε-caprolactone 213.86
    p-cymene 45.3
    epichlorohydrin 567.79
    1,1,1-trichloroethane 330.22
    2-aminoethanol 315.93
    morpholine-4-carbaldehyde 481.45
    sulfolane 465.14
    2,2,4-trimethylpentane 9.93
    2-methyltetrahydrofuran 226.84
    n-hexyl acetate 128.11
    isooctane 8.56
    2-(2-butoxyethoxy)ethanol 191.38
    sec-butyl acetate 65.2
    tert-butyl acetate 102.29
    decalin 15.63
    glycerin 304.56
    diglyme 364.29
    acrylic acid 220.14
    isopropyl myristate 53.79
    n-butyric acid 180.46
    acetyl acetate 123.72
    di(2-ethylhexyl) phthalate 69.47
    ethyl propionate 91.74
    nitromethane 452.51
    1,2-diethoxyethane 126.14
    benzonitrile 239.62
    trioctyl phosphate 47.39
    1-bromopropane 191.19
    gamma-valerolactone 470.29
    n-decanol 54.68
    triethyl phosphate 57.55
    4-methyl-2-pentanol 67.62
    propionitrile 218.84
    vinylene carbonate 246.98
    1,1,2-trichlorotrifluoroethane 395.59
    DMS 137.48
    cumene 55.4
    2-octanol 54.72
    2-hexanone 100.48
    octyl acetate 69.52
    limonene 54.01
    1,2-dimethoxyethane 357.76
    ethyl orthosilicate 53.75
    tributyl phosphate 54.8
    diacetone alcohol 143.32
    N,N-dimethylaniline 118.44
    acrylonitrile 359.35
    aniline 176.9
    1,3-propanediol 300.14
    bromobenzene 256.35
    dibromomethane 586.78
    1,1,2,2-tetrachloroethane 535.67
    2-methyl-cyclohexyl acetate 76.75
    tetrabutyl urea 72.69
    diisobutyl methanol 42.87
    2-phenylethanol 131.03
    styrene 83.28
    dioctyl adipate 77.9
    dimethyl sulfate 223.12
    ethyl butyrate 75.06
    methyl lactate 142.44
    butyl lactate 85.78
    diethyl carbonate 63.75
    propanediol butyl ether 163.37
    triethyl orthoformate 60.45
    p-tert-butyltoluene 42.42
    methyl 4-tert-butylbenzoate 129.68
    morpholine 367.29
    tert-butylamine 94.91
    n-dodecanol 42.47
    dimethoxymethane 359.95
    ethylene carbonate 185.69
    cyrene 159.81
    2-ethoxyethyl acetate 126.24
    2-ethylhexyl acetate 67.2
    1,2,4-trichlorobenzene 268.83
    4-methylpyridine 293.78
    dibutyl ether 65.71
    2,6-dimethyl-4-heptanol 42.87
    DEF 196.97
    dimethyl isosorbide 212.08
    tetrachloroethylene 390.04
    eugenol 162.89
    triacetin 118.96
    span 80 115.32
    1,4-butanediol 170.8
    1,1-dichloroethane 383.88
    2-methyl-1-pentanol 112.55
    methyl formate 335.72
    2-methyl-1-butanol 145.86
    n-decane 12.49
    butyronitrile 194.23
    3,7-dimethyl-1-octanol 71.18
    1-chlorooctane 56.44
    1-chlorotetradecane 25.72
    n-nonane 11.54
    undecane 10.18
    tert-butylcyclohexane 16.03
    cyclooctane 6.09
    cyclopentanol 165.77
    tetrahydropyran 201.89
    tert-amyl methyl ether 84.86
    2,5,8-trioxanonane 242.7
    1-hexene 41.21
    2-isopropoxyethanol 170.99
    2,2,2-trifluoroethanol 178.43
    methyl butyrate 123.64

    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