1-(5-Ethyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethanone

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  • Identifiers

    CAS number
    97073-13-7

    Molecular formula
    C11H15NO

    SMILES
    CCC1=CC(=C2N1CCC2)C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 35.6%
    Nutty 33.57%
    Animal 31.02%
    Earthy 30.18%
    Sweet 27.72%
    Burnt 27.53%
    Popcorn 27.28%
    Musk 26.55%
    Powdery 25.6%
    Floral 25.5%

     

    Flavor
    Bitter 49.26%
    Roasted 27.11%
    Earthy 22.91%
    Bread crust 21.21%
    Taco 21.15%
    Parsley 20.79%
    Lovage 20.67%
    Soybean 20.66%
    Burnt almonds 20.32%
    Cereal 20.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.12 (weak base)

    Molecular weight
    177.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 115.63 ˚C est.

  • Synonyms

    • 1-(5-Ethyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethanone
    • 97073-13-7
    • RefChem:225751
    • DTXSID201227966
    • 1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone
    • 1-(5-Ethyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethan-1-one
    • 97073-13-7

  • Applications

    1-(5-Ethyl-2,3-dihydro-1H-pyrrolizin-7-yl)ethanone (CAS 97073-13-7) is primarily used as an organic synthesis intermediate and heterocyclic building block; it supports pharmaceutical research and medicinal chemistry through SAR exploration and as a precursor or scaffold for API synthesis and related heterocyclic derivatives. It is also evaluated as a precursor in agrochemical discovery and can serve in polymer science and materials research as a functional building block for polymer systems. In addition, it may appear in specialized formulation development and other advanced molecular design programs under development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 169.47
    methanol 328.71
    isopropanol 137.78
    water 14.93
    ethyl acetate 157.94
    n-propanol 170.96
    acetone 242.69
    n-butanol 151.93
    acetonitrile 264.83
    DMF 585.13
    toluene 197.48
    isobutanol 142.35
    1,4-dioxane 375.73
    methyl acetate 208.88
    THF 438.08
    2-butanone 198.77
    n-pentanol 114.08
    sec-butanol 132.19
    n-hexane 10.85
    ethylene glycol 166.81
    NMP 518.92
    cyclohexane 31.82
    DMSO 371.78
    n-butyl acetate 128.96
    n-octanol 100.81
    chloroform 1564.77
    n-propyl acetate 115.04
    acetic acid 193.58
    dichloromethane 1553.26
    cyclohexanone 403.74
    propylene glycol 130.38
    isopropyl acetate 106.69
    DMAc 408.7
    2-ethoxyethanol 182.35
    isopentanol 118.52
    n-heptane 12.95
    ethyl formate 216.82
    1,2-dichloroethane 599.21
    n-hexanol 132.41
    2-methoxyethanol 345.83
    isobutyl acetate 95.76
    tetrachloromethane 227.84
    n-pentyl acetate 119.43
    transcutol 259.89
    n-heptanol 82.9
    ethylbenzene 111.33
    MIBK 116.82
    2-propoxyethanol 238.94
    tert-butanol 140.35
    MTBE 106.81
    2-butoxyethanol 148.17
    propionic acid 191.14
    o-xylene 140.18
    formic acid 133.41
    diethyl ether 108.13
    m-xylene 144.83
    p-xylene 150.93
    chlorobenzene 390.72
    dimethyl carbonate 153.35
    n-octane 10.32
    formamide 182.86
    cyclopentanone 468.3
    2-pentanone 148.27
    anisole 221.04
    cyclopentyl methyl ether 196.82
    gamma-butyrolactone 565.08
    1-methoxy-2-propanol 225.51
    pyridine 459.95
    3-pentanone 139.46
    furfural 646.57
    n-dodecane 13.9
    diethylene glycol 264.47
    diisopropyl ether 40.34
    tert-amyl alcohol 113.79
    acetylacetone 228.31
    n-hexadecane 16.07
    acetophenone 221.88
    methyl propionate 175.05
    isopentyl acetate 127.7
    trichloroethylene 1235.84
    n-nonanol 85.25
    cyclohexanol 168.64
    benzyl alcohol 213.19
    2-ethylhexanol 84.34
    isooctanol 69.58
    dipropyl ether 67.74
    1,2-dichlorobenzene 383.45
    ethyl lactate 108.76
    propylene carbonate 361.41
    n-methylformamide 311.29
    2-pentanol 88.96
    n-pentane 13.99
    1-propoxy-2-propanol 136.55
    1-methoxy-2-propyl acetate 156.87
    2-(2-methoxypropoxy) propanol 145.24
    mesitylene 94.54
    ε-caprolactone 322.84
    p-cymene 76.82
    epichlorohydrin 651.45
    1,1,1-trichloroethane 502.32
    2-aminoethanol 192.14
    morpholine-4-carbaldehyde 514.47
    sulfolane 605.79
    2,2,4-trimethylpentane 12.84
    2-methyltetrahydrofuran 267.69
    n-hexyl acetate 169.71
    isooctane 9.94
    2-(2-butoxyethoxy)ethanol 172.55
    sec-butyl acetate 81.17
    tert-butyl acetate 114.51
    decalin 24.28
    glycerin 211.44
    diglyme 301.14
    acrylic acid 236.81
    isopropyl myristate 81.03
    n-butyric acid 192.31
    acetyl acetate 152.58
    di(2-ethylhexyl) phthalate 104.59
    ethyl propionate 115.02
    nitromethane 382.33
    1,2-diethoxyethane 116.9
    benzonitrile 371.06
    trioctyl phosphate 71.13
    1-bromopropane 239.56
    gamma-valerolactone 556.95
    n-decanol 66.45
    triethyl phosphate 80.97
    4-methyl-2-pentanol 60.99
    propionitrile 230.98
    vinylene carbonate 428.76
    1,1,2-trichlorotrifluoroethane 409.9
    DMS 200.82
    cumene 85.44
    2-octanol 68.17
    2-hexanone 111.18
    octyl acetate 105.2
    limonene 93.84
    1,2-dimethoxyethane 275.03
    ethyl orthosilicate 68.88
    tributyl phosphate 78.67
    diacetone alcohol 139.49
    N,N-dimethylaniline 146.28
    acrylonitrile 370.58
    aniline 216.03
    1,3-propanediol 195.83
    bromobenzene 434.08
    dibromomethane 805.52
    1,1,2,2-tetrachloroethane 767.29
    2-methyl-cyclohexyl acetate 119.59
    tetrabutyl urea 105.17
    diisobutyl methanol 51.47
    2-phenylethanol 184.48
    styrene 139.82
    dioctyl adipate 115.61
    dimethyl sulfate 258.34
    ethyl butyrate 110.22
    methyl lactate 149.49
    butyl lactate 110.35
    diethyl carbonate 100.45
    propanediol butyl ether 142.48
    triethyl orthoformate 80.04
    p-tert-butyltoluene 68.16
    methyl 4-tert-butylbenzoate 184.93
    morpholine 322.84
    tert-butylamine 91.57
    n-dodecanol 55.05
    dimethoxymethane 322.83
    ethylene carbonate 315.99
    cyrene 198.02
    2-ethoxyethyl acetate 161.58
    2-ethylhexyl acetate 104.62
    1,2,4-trichlorobenzene 441.86
    4-methylpyridine 421.21
    dibutyl ether 77.27
    2,6-dimethyl-4-heptanol 51.47
    DEF 198.8
    dimethyl isosorbide 262.15
    tetrachloroethylene 554.79
    eugenol 205.5
    triacetin 171.06
    span 80 133.01
    1,4-butanediol 118.07
    1,1-dichloroethane 499.55
    2-methyl-1-pentanol 105.66
    methyl formate 324.63
    2-methyl-1-butanol 127.57
    n-decane 19.24
    butyronitrile 213.43
    3,7-dimethyl-1-octanol 83.32
    1-chlorooctane 80.39
    1-chlorotetradecane 39.4
    n-nonane 17.41
    undecane 16.09
    tert-butylcyclohexane 21.09
    cyclooctane 12.92
    cyclopentanol 210.5
    tetrahydropyran 239.47
    tert-amyl methyl ether 91.34
    2,5,8-trioxanonane 239.47
    1-hexene 45.57
    2-isopropoxyethanol 126.61
    2,2,2-trifluoroethanol 143.97
    methyl butyrate 155.78

    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