1-(2,3-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone

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  • Identifiers

    CAS number
    97073-06-8

    Molecular formula
    C10H13NO

    SMILES
    CC1=CC(=C2N1CCC2)C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 36.84%
    Nutty 33.68%
    Sweet 31.51%
    Animal 30.51%
    Powdery 30.29%
    Musk 29.77%
    Earthy 28.36%
    Burnt 28.26%
    Popcorn 28.16%
    Floral 26.46%

     

    Flavor
    Bitter 53.47%
    Roasted 26.14%
    Bread crust 21.93%
    Odorless 21.52%
    Soybean 21.34%
    Taco 21.25%
    Very strong 21.11%
    Indole 20.96%
    Cereal 20.9%
    Burnt almonds 20.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.72 (neutral)

    Molecular weight
    163.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 111.37 ˚C est.

  • Synonyms

    • 1-(2,3-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone
    • 97073-06-8
    • 1-(5-methyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethan-1-one
    • RefChem:73974
    • 7-acetyl-5-methyl-2,3-dihydro-(1H)-pyrrolizine
    • 1-(5-Methyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethanone
    • 1-(3-methyl-6,7-dihydro-5H-pyrrolizin-1-yl)ethanone
    • CHEBI:173434
    • DJAGDEJXGVMMGJ-UHFFFAOYSA-N
    • DTXSID901223810
    • 97073-06-8

  • Applications

    For 1-(2,3-Dihydro-5-methyl-1H-pyrrolizin-7-yl)ethanone (CAS 97073-06-8), it is principally used as a synthetic intermediate in pharmaceutical research, providing a building block for the preparation of heterocyclic compounds and related derivatives. In drug discovery and medicinal chemistry, it is commonly employed to explore structure-activity relationships by functionalizing the acetyl group and the pyrrolizine ring; it is also used as a starting material for synthetic sequences aimed at generating compound libraries for SAR studies. Additionally, in broader organic synthesis and industrial development, it can serve as a core scaffold for constructing more complex heterocyclic derivatives and for transformations that furnish precursor materials used in research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 201.0
    methanol 372.16
    isopropanol 139.5
    water 26.65
    ethyl acetate 149.36
    n-propanol 180.21
    acetone 247.76
    n-butanol 155.46
    acetonitrile 248.97
    DMF 497.21
    toluene 133.95
    isobutanol 136.74
    1,4-dioxane 412.78
    methyl acetate 187.73
    THF 440.95
    2-butanone 185.68
    n-pentanol 104.91
    sec-butanol 126.63
    n-hexane 10.97
    ethylene glycol 187.99
    NMP 392.18
    cyclohexane 16.87
    DMSO 405.03
    n-butyl acetate 87.74
    n-octanol 80.49
    chloroform 912.16
    n-propyl acetate 77.9
    acetic acid 165.88
    dichloromethane 929.9
    cyclohexanone 275.04
    propylene glycol 140.42
    isopropyl acetate 97.68
    DMAc 353.66
    2-ethoxyethanol 218.96
    isopentanol 122.79
    n-heptane 9.68
    ethyl formate 148.57
    1,2-dichloroethane 414.07
    n-hexanol 111.67
    2-methoxyethanol 439.61
    isobutyl acetate 68.13
    tetrachloromethane 136.21
    n-pentyl acetate 82.5
    transcutol 316.34
    n-heptanol 66.93
    ethylbenzene 68.52
    MIBK 107.19
    2-propoxyethanol 270.35
    tert-butanol 138.08
    MTBE 110.53
    2-butoxyethanol 147.48
    propionic acid 155.63
    o-xylene 87.17
    formic acid 162.3
    diethyl ether 131.35
    m-xylene 99.36
    p-xylene 88.02
    chlorobenzene 228.05
    dimethyl carbonate 125.35
    n-octane 7.48
    formamide 212.06
    cyclopentanone 359.73
    2-pentanone 154.66
    anisole 171.7
    cyclopentyl methyl ether 196.4
    gamma-butyrolactone 407.61
    1-methoxy-2-propanol 285.46
    pyridine 315.81
    3-pentanone 133.56
    furfural 455.83
    n-dodecane 8.82
    diethylene glycol 296.57
    diisopropyl ether 42.74
    tert-amyl alcohol 107.8
    acetylacetone 217.67
    n-hexadecane 10.23
    acetophenone 146.65
    methyl propionate 162.82
    isopentyl acetate 90.8
    trichloroethylene 704.78
    n-nonanol 68.11
    cyclohexanol 133.7
    benzyl alcohol 147.24
    2-ethylhexanol 65.0
    isooctanol 57.04
    dipropyl ether 61.74
    1,2-dichlorobenzene 222.67
    ethyl lactate 85.56
    propylene carbonate 210.4
    n-methylformamide 299.85
    2-pentanol 91.61
    n-pentane 11.58
    1-propoxy-2-propanol 134.0
    1-methoxy-2-propyl acetate 130.08
    2-(2-methoxypropoxy) propanol 128.52
    mesitylene 64.64
    ε-caprolactone 228.85
    p-cymene 45.82
    epichlorohydrin 552.68
    1,1,1-trichloroethane 333.35
    2-aminoethanol 215.65
    morpholine-4-carbaldehyde 449.79
    sulfolane 444.54
    2,2,4-trimethylpentane 9.88
    2-methyltetrahydrofuran 255.61
    n-hexyl acetate 132.67
    isooctane 8.86
    2-(2-butoxyethoxy)ethanol 160.94
    sec-butyl acetate 61.87
    tert-butyl acetate 105.9
    decalin 18.29
    glycerin 239.67
    diglyme 293.58
    acrylic acid 179.04
    isopropyl myristate 53.79
    n-butyric acid 161.34
    acetyl acetate 123.81
    di(2-ethylhexyl) phthalate 71.78
    ethyl propionate 90.64
    nitromethane 368.07
    1,2-diethoxyethane 106.35
    benzonitrile 215.59
    trioctyl phosphate 48.38
    1-bromopropane 174.84
    gamma-valerolactone 461.0
    n-decanol 51.12
    triethyl phosphate 58.72
    4-methyl-2-pentanol 61.93
    propionitrile 193.52
    vinylene carbonate 233.81
    1,1,2-trichlorotrifluoroethane 361.27
    DMS 141.66
    cumene 55.0
    2-octanol 53.42
    2-hexanone 93.44
    octyl acetate 70.86
    limonene 57.67
    1,2-dimethoxyethane 280.07
    ethyl orthosilicate 54.85
    tributyl phosphate 55.59
    diacetone alcohol 139.71
    N,N-dimethylaniline 113.71
    acrylonitrile 296.91
    aniline 166.4
    1,3-propanediol 237.51
    bromobenzene 246.32
    dibromomethane 502.54
    1,1,2,2-tetrachloroethane 487.63
    2-methyl-cyclohexyl acetate 80.74
    tetrabutyl urea 72.16
    diisobutyl methanol 40.92
    2-phenylethanol 130.54
    styrene 83.76
    dioctyl adipate 77.54
    dimethyl sulfate 227.04
    ethyl butyrate 73.69
    methyl lactate 136.02
    butyl lactate 80.29
    diethyl carbonate 64.44
    propanediol butyl ether 136.26
    triethyl orthoformate 58.86
    p-tert-butyltoluene 44.85
    methyl 4-tert-butylbenzoate 129.04
    morpholine 370.36
    tert-butylamine 83.77
    n-dodecanol 40.1
    dimethoxymethane 352.75
    ethylene carbonate 180.03
    cyrene 148.3
    2-ethoxyethyl acetate 125.17
    2-ethylhexyl acetate 74.31
    1,2,4-trichlorobenzene 257.27
    4-methylpyridine 285.16
    dibutyl ether 62.75
    2,6-dimethyl-4-heptanol 40.92
    DEF 181.48
    dimethyl isosorbide 205.93
    tetrachloroethylene 344.5
    eugenol 152.48
    triacetin 116.4
    span 80 106.26
    1,4-butanediol 120.31
    1,1-dichloroethane 342.97
    2-methyl-1-pentanol 93.97
    methyl formate 260.27
    2-methyl-1-butanol 128.73
    n-decane 12.79
    butyronitrile 168.96
    3,7-dimethyl-1-octanol 66.96
    1-chlorooctane 57.98
    1-chlorotetradecane 26.34
    n-nonane 12.1
    undecane 10.38
    tert-butylcyclohexane 17.42
    cyclooctane 8.52
    cyclopentanol 166.2
    tetrahydropyran 231.98
    tert-amyl methyl ether 91.18
    2,5,8-trioxanonane 202.82
    1-hexene 41.68
    2-isopropoxyethanol 130.3
    2,2,2-trifluoroethanol 140.23
    methyl butyrate 113.07

    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