5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine

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  • Identifiers

    CAS number
    97073-03-5

    Molecular formula
    C11H15NO

    SMILES
    CC1=C2CCCN2C(=C1C)C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 44.99%
    Musk 44.1%
    Powdery 39.99%
    Dry 33.0%
    Floral 31.5%
    Burnt 29.9%
    Earthy 29.16%
    Animal 28.8%
    Fatty 28.45%
    Woody 27.4%

     

    Flavor
    Bitter 49.85%
    Roasted 27.81%
    Earthy 22.62%
    Soybean 22.09%
    Taco 21.93%
    Bread crust 21.71%
    Burnt almonds 21.6%
    Odorless 21.39%
    Very strong 21.23%
    Cereal 21.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.99 (neutral)

    Molecular weight
    177.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 120.37 ˚C est.

  • Synonyms

    • 97073-03-5
    • 5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine
    • 1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)ethanone
    • 1-(6,7-Dimethyl-2,3-dihydro-1H-pyrrolizin-5-yl)ethanone
    • 1-(6,7-dimethyl-2,3-dihydro-1H-pyrrolizin-5-yl)ethan-1-one
    • Ethanone, 1-(2,3-dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-
    • TYN8XE7DDU
    • SCHEMBL26207622
    • 1-(1,2-dimethyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
    • DFFVSJCTDBAPFY-UHFFFAOYSA-N
    • DTXSID601206370
    • 5-Acetyl-6,7-dimethyl-2,3-dihydro-1H-pyrrolizine
    • Ethanone,1-(2,3-dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-(9ci)
    • 97073-03-5

  • Applications

    5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine (CAS 97073-03-5) is primarily encountered as an organic building block and synthesis intermediate, providing a heterocyclic scaffold for subsequent elaboration. In pharmaceutical development and medicinal chemistry, it can serve as a scaffold for designing and assembling heterocycles and as a starting point for library generation. In organic synthesis and process development, it may be used as a route intermediate or reference compound for method validation and scope exploration. In fragrance research, pyrrolizine-based frameworks and derivatives can be studied as odor-active precursors or fragrance notes, and this compound may be evaluated for such use where permitted. In academic and industrial R&D settings, it is used to probe heterocycle chemistry, reaction scope, and as a substrate for transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 478.19
    methanol 913.56
    isopropanol 323.07
    water 56.31
    ethyl acetate 433.45
    n-propanol 432.49
    acetone 581.86
    n-butanol 390.22
    acetonitrile 688.91
    DMF 945.89
    toluene 390.58
    isobutanol 320.66
    1,4-dioxane 1063.44
    methyl acetate 470.13
    THF 1185.92
    2-butanone 460.93
    n-pentanol 268.51
    sec-butanol 292.89
    n-hexane 46.23
    ethylene glycol 293.13
    NMP 672.23
    cyclohexane 68.92
    DMSO 654.53
    n-butyl acetate 283.27
    n-octanol 177.72
    chloroform 2480.42
    n-propyl acetate 256.15
    acetic acid 438.27
    dichloromethane 2435.03
    cyclohexanone 664.37
    propylene glycol 197.26
    isopropyl acetate 283.66
    DMAc 539.5
    2-ethoxyethanol 520.46
    isopentanol 301.44
    n-heptane 30.31
    ethyl formate 438.87
    1,2-dichloroethane 1183.18
    n-hexanol 273.37
    2-methoxyethanol 958.07
    isobutyl acetate 196.28
    tetrachloromethane 487.99
    n-pentyl acetate 256.87
    transcutol 645.91
    n-heptanol 165.4
    ethylbenzene 205.47
    MIBK 265.64
    2-propoxyethanol 598.19
    tert-butanol 291.54
    MTBE 316.89
    2-butoxyethanol 348.79
    propionic acid 324.78
    o-xylene 235.84
    formic acid 389.89
    diethyl ether 438.85
    m-xylene 281.44
    p-xylene 258.63
    chlorobenzene 618.16
    dimethyl carbonate 298.37
    n-octane 23.29
    formamide 515.58
    cyclopentanone 888.84
    2-pentanone 405.01
    anisole 409.91
    cyclopentyl methyl ether 550.53
    gamma-butyrolactone 1125.9
    1-methoxy-2-propanol 572.54
    pyridine 806.76
    3-pentanone 342.93
    furfural 1052.62
    n-dodecane 21.81
    diethylene glycol 565.86
    diisopropyl ether 139.62
    tert-amyl alcohol 258.56
    acetylacetone 500.08
    n-hexadecane 25.8
    acetophenone 330.04
    methyl propionate 419.38
    isopentyl acetate 268.49
    trichloroethylene 2046.51
    n-nonanol 146.86
    cyclohexanol 330.59
    benzyl alcohol 331.46
    2-ethylhexanol 154.56
    isooctanol 139.73
    dipropyl ether 167.42
    1,2-dichlorobenzene 570.12
    ethyl lactate 179.66
    propylene carbonate 554.71
    n-methylformamide 696.92
    2-pentanol 230.22
    n-pentane 46.82
    1-propoxy-2-propanol 292.07
    1-methoxy-2-propyl acetate 309.54
    2-(2-methoxypropoxy) propanol 218.7
    mesitylene 187.42
    ε-caprolactone 586.12
    p-cymene 119.59
    epichlorohydrin 1473.36
    1,1,1-trichloroethane 984.73
    2-aminoethanol 391.2
    morpholine-4-carbaldehyde 897.88
    sulfolane 912.9
    2,2,4-trimethylpentane 31.06
    2-methyltetrahydrofuran 740.73
    n-hexyl acetate 346.49
    isooctane 28.28
    2-(2-butoxyethoxy)ethanol 314.69
    sec-butyl acetate 182.84
    tert-butyl acetate 289.52
    decalin 54.08
    glycerin 363.56
    diglyme 652.51
    acrylic acid 364.03
    isopropyl myristate 119.43
    n-butyric acid 409.42
    acetyl acetate 319.15
    di(2-ethylhexyl) phthalate 135.38
    ethyl propionate 260.27
    nitromethane 849.79
    1,2-diethoxyethane 291.4
    benzonitrile 551.24
    trioctyl phosphate 100.29
    1-bromopropane 550.86
    gamma-valerolactone 1119.26
    n-decanol 103.29
    triethyl phosphate 126.8
    4-methyl-2-pentanol 146.53
    propionitrile 551.98
    vinylene carbonate 591.83
    1,1,2-trichlorotrifluoroethane 734.11
    DMS 326.75
    cumene 147.8
    2-octanol 135.45
    2-hexanone 256.85
    octyl acetate 157.92
    limonene 147.3
    1,2-dimethoxyethane 741.26
    ethyl orthosilicate 123.9
    tributyl phosphate 115.99
    diacetone alcohol 291.49
    N,N-dimethylaniline 254.58
    acrylonitrile 785.89
    aniline 412.26
    1,3-propanediol 502.85
    bromobenzene 677.67
    dibromomethane 1424.81
    1,1,2,2-tetrachloroethane 1335.67
    2-methyl-cyclohexyl acetate 187.0
    tetrabutyl urea 141.48
    diisobutyl methanol 92.42
    2-phenylethanol 305.82
    styrene 243.09
    dioctyl adipate 158.42
    dimethyl sulfate 434.61
    ethyl butyrate 200.25
    methyl lactate 244.94
    butyl lactate 187.75
    diethyl carbonate 158.09
    propanediol butyl ether 263.84
    triethyl orthoformate 151.76
    p-tert-butyltoluene 116.71
    methyl 4-tert-butylbenzoate 287.08
    morpholine 898.22
    tert-butylamine 207.99
    n-dodecanol 78.92
    dimethoxymethane 855.53
    ethylene carbonate 501.59
    cyrene 263.1
    2-ethoxyethyl acetate 337.84
    2-ethylhexyl acetate 223.27
    1,2,4-trichlorobenzene 604.26
    4-methylpyridine 758.67
    dibutyl ether 171.11
    2,6-dimethyl-4-heptanol 92.42
    DEF 438.88
    dimethyl isosorbide 396.29
    tetrachloroethylene 1088.72
    eugenol 310.93
    triacetin 242.61
    span 80 184.85
    1,4-butanediol 244.69
    1,1-dichloroethane 971.47
    2-methyl-1-pentanol 232.4
    methyl formate 693.66
    2-methyl-1-butanol 314.88
    n-decane 35.31
    butyronitrile 503.9
    3,7-dimethyl-1-octanol 140.61
    1-chlorooctane 150.11
    1-chlorotetradecane 58.12
    n-nonane 33.58
    undecane 26.69
    tert-butylcyclohexane 50.89
    cyclooctane 34.55
    cyclopentanol 413.75
    tetrahydropyran 666.83
    tert-amyl methyl ether 256.79
    2,5,8-trioxanonane 384.38
    1-hexene 143.57
    2-isopropoxyethanol 308.37
    2,2,2-trifluoroethanol 336.13
    methyl butyrate 328.95

    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