5-acetyl-6-methyl-2,3-dihydro-1H-pyrrolizine

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  • Identifiers

    CAS number
    55041-86-6

    Molecular formula
    C10H13NO

    SMILES
    CC1=C(N2CCCC2=C1)C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 37.46%
    Floral 34.88%
    Powdery 34.0%
    Musk 32.74%
    Roasted 32.73%
    Nutty 31.28%
    Animal 29.49%
    Earthy 27.54%
    Burnt 26.64%
    Dry 26.44%

     

    Flavor
    Bitter 48.21%
    Roasted 31.87%
    Nutty 25.01%
    Roast 24.41%
    Earthy 23.93%
    Corn 23.3%
    Bread crust 22.41%
    Popcorn 22.35%
    Taco 22.34%
    Soybean 21.82%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.51 (neutral)

    Molecular weight
    163.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point

    • 112.38 ˚C est.

  • Synonyms

    • 5-acetyl-6-methyl-2,3-dihydro-1H-pyrrolizine
    • 55041-86-6
    • 1-(2-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
    • 1-(6-Methyl-2,3-dihydro-1H-pyrrolizin-5-yl)ethanone
    • 1-(6-methyl-2,3-dihydro-1H-pyrrolizin-5-yl)ethan-1-one
    • 5-Acetyl-2,3-dihydro-6-methyl-1H-pyrrolizine
    • J49953L525
    • 1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)ethanone
    • Ethanone, 1-(2,3-dihydro-6-methyl-1H-pyrrolizin-5-yl)-
    • DTXSID70423868
    • CHEBI:173433
    • FEOYYZKCVVLICI-UHFFFAOYSA-N
    • UNII-J49953L525
    • DB-237937
    • 1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)ethanone, 9CI
    • 55041-86-6

  • Applications

    For 5-acetyl-6-methyl-2,3-dihydro-1H-pyrrolizine (CAS 55041-86-6), typical applications relate to its role as an organic synthesis intermediate: it may be used as an intermediate in pharmaceutical and fine chemical synthesis; may serve as a precursor in agrochemical development; may function as a fragrance/odorant precursor for perfumery and flavor applications; may act as a building block for heterocyclic chemistry in research and development; and may be used as a specialty chemical building block for polymers, coatings, or other advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 471.51
    methanol 916.29
    isopropanol 300.05
    water 66.01
    ethyl acetate 327.7
    n-propanol 399.12
    acetone 499.47
    n-butanol 349.96
    acetonitrile 621.9
    DMF 762.86
    toluene 280.26
    isobutanol 299.01
    1,4-dioxane 852.44
    methyl acetate 363.46
    THF 1011.73
    2-butanone 346.01
    n-pentanol 246.6
    sec-butanol 264.32
    n-hexane 37.01
    ethylene glycol 335.43
    NMP 617.2
    cyclohexane 51.2
    DMSO 640.71
    n-butyl acetate 203.02
    n-octanol 163.68
    chloroform 1963.95
    n-propyl acetate 185.02
    acetic acid 494.56
    dichloromethane 1922.64
    cyclohexanone 539.0
    propylene glycol 228.89
    isopropyl acetate 206.09
    DMAc 450.69
    2-ethoxyethanol 449.89
    isopentanol 269.88
    n-heptane 25.41
    ethyl formate 347.68
    1,2-dichloroethane 871.93
    n-hexanol 247.71
    2-methoxyethanol 825.77
    isobutyl acetate 141.75
    tetrachloromethane 326.7
    n-pentyl acetate 185.11
    transcutol 657.59
    n-heptanol 140.15
    ethylbenzene 139.5
    MIBK 215.22
    2-propoxyethanol 512.63
    tert-butanol 256.24
    MTBE 230.96
    2-butoxyethanol 280.7
    propionic acid 319.59
    o-xylene 160.46
    formic acid 463.55
    diethyl ether 331.1
    m-xylene 208.72
    p-xylene 166.39
    chlorobenzene 455.27
    dimethyl carbonate 231.44
    n-octane 17.78
    formamide 457.17
    cyclopentanone 712.84
    2-pentanone 317.03
    anisole 303.63
    cyclopentyl methyl ether 448.26
    gamma-butyrolactone 860.1
    1-methoxy-2-propanol 492.84
    pyridine 620.18
    3-pentanone 249.87
    furfural 827.84
    n-dodecane 18.67
    diethylene glycol 532.32
    diisopropyl ether 103.75
    tert-amyl alcohol 217.42
    acetylacetone 391.59
    n-hexadecane 21.51
    acetophenone 245.44
    methyl propionate 314.47
    isopentyl acetate 192.57
    trichloroethylene 1586.91
    n-nonanol 130.1
    cyclohexanol 278.09
    benzyl alcohol 273.39
    2-ethylhexanol 131.46
    isooctanol 115.97
    dipropyl ether 137.35
    1,2-dichlorobenzene 411.09
    ethyl lactate 155.25
    propylene carbonate 443.58
    n-methylformamide 574.8
    2-pentanol 203.57
    n-pentane 39.04
    1-propoxy-2-propanol 248.28
    1-methoxy-2-propyl acetate 241.5
    2-(2-methoxypropoxy) propanol 198.34
    mesitylene 135.93
    ε-caprolactone 476.07
    p-cymene 87.54
    epichlorohydrin 1137.08
    1,1,1-trichloroethane 685.93
    2-aminoethanol 405.73
    morpholine-4-carbaldehyde 718.71
    sulfolane 781.19
    2,2,4-trimethylpentane 25.35
    2-methyltetrahydrofuran 602.25
    n-hexyl acetate 281.63
    isooctane 23.05
    2-(2-butoxyethoxy)ethanol 278.29
    sec-butyl acetate 135.19
    tert-butyl acetate 215.39
    decalin 41.19
    glycerin 405.58
    diglyme 539.4
    acrylic acid 370.88
    isopropyl myristate 96.56
    n-butyric acid 351.15
    acetyl acetate 247.57
    di(2-ethylhexyl) phthalate 115.22
    ethyl propionate 188.97
    nitromethane 788.13
    1,2-diethoxyethane 224.98
    benzonitrile 422.47
    trioctyl phosphate 84.77
    1-bromopropane 423.74
    gamma-valerolactone 856.25
    n-decanol 94.15
    triethyl phosphate 102.1
    4-methyl-2-pentanol 125.88
    propionitrile 431.04
    vinylene carbonate 481.49
    1,1,2-trichlorotrifluoroethane 585.83
    DMS 247.27
    cumene 107.44
    2-octanol 109.83
    2-hexanone 195.42
    octyl acetate 128.1
    limonene 112.4
    1,2-dimethoxyethane 578.9
    ethyl orthosilicate 98.32
    tributyl phosphate 97.57
    diacetone alcohol 248.3
    N,N-dimethylaniline 189.34
    acrylonitrile 634.86
    aniline 316.82
    1,3-propanediol 440.1
    bromobenzene 501.58
    dibromomethane 1143.94
    1,1,2,2-tetrachloroethane 992.9
    2-methyl-cyclohexyl acetate 146.73
    tetrabutyl urea 119.04
    diisobutyl methanol 78.56
    2-phenylethanol 244.0
    styrene 170.22
    dioctyl adipate 129.59
    dimethyl sulfate 348.11
    ethyl butyrate 148.42
    methyl lactate 212.14
    butyl lactate 149.9
    diethyl carbonate 121.08
    propanediol butyl ether 255.36
    triethyl orthoformate 115.37
    p-tert-butyltoluene 85.53
    methyl 4-tert-butylbenzoate 218.68
    morpholine 726.53
    tert-butylamine 169.24
    n-dodecanol 71.81
    dimethoxymethane 673.94
    ethylene carbonate 396.07
    cyrene 232.34
    2-ethoxyethyl acetate 246.39
    2-ethylhexyl acetate 155.98
    1,2,4-trichlorobenzene 450.63
    4-methylpyridine 547.29
    dibutyl ether 136.48
    2,6-dimethyl-4-heptanol 78.56
    DEF 342.17
    dimethyl isosorbide 335.29
    tetrachloroethylene 771.8
    eugenol 244.82
    triacetin 198.98
    span 80 176.54
    1,4-butanediol 238.4
    1,1-dichloroethane 740.57
    2-methyl-1-pentanol 212.05
    methyl formate 568.77
    2-methyl-1-butanol 280.07
    n-decane 29.48
    butyronitrile 406.67
    3,7-dimethyl-1-octanol 128.01
    1-chlorooctane 123.02
    1-chlorotetradecane 49.38
    n-nonane 28.94
    undecane 22.81
    tert-butylcyclohexane 39.01
    cyclooctane 25.48
    cyclopentanol 351.33
    tetrahydropyran 516.44
    tert-amyl methyl ether 189.29
    2,5,8-trioxanonane 325.58
    1-hexene 116.85
    2-isopropoxyethanol 265.29
    2,2,2-trifluoroethanol 305.73
    methyl butyrate 240.24

    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