1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1-propanone

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  • Identifiers

    CAS number
    97073-08-0

    Molecular formula
    C11H15NO

    SMILES
    CCC(=O)C1=C(C=C2N1CCC2)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 41.81%
    Nutty 35.64%
    Popcorn 30.5%
    Animal 27.62%
    Burnt 26.99%
    Earthy 26.0%
    Musk 25.08%
    Odorless 22.88%
    Hazelnut 22.51%
    Powdery 21.88%

     

    Flavor
    Bitter 60.67%
    Roasted 27.63%
    Roast 22.54%
    Odorless 22.35%
    Taco 21.17%
    Bread crust 20.76%
    Roasted peanuts 20.49%
    Cedarleaf 20.34%
    Cereal 20.34%
    Soybean 20.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.67 (neutral)

    Molecular weight
    177.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    302°C

    Flash point

    • 116.74 ˚C est.

  • Synonyms

    • 97073-08-0
    • 1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1-propanone
    • RefChem:222791
    • 1-(6-Methyl-2,3-dihydro-1H-pyrrolizin-5-yl)propan-1-one
    • U8P7ZU7DCN
    • GYZWTVCWHXRANZ-UHFFFAOYSA-N
    • 1-Propanone, 1-(2,3-dihydro-6-methyl-1H-pyrrolizin-5-yl)-
    • DTXSID101204450
    • 2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine
    • 5-Propionyl-6-methyl-2,3-dihydro-1H-pyrrolizine
    • 1-(2-METHYL-6,7-DIHYDRO-5H-PYRROLIZIN-3-YL)PROPAN-1-ONE
    • 97073-08-0

  • Applications

    Chemical name: 1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1-propanone; CAS number: 97073-08-0. In practice, it is primarily regarded as a pharmaceutical intermediate and building block for the synthesis of heterocyclic compounds, enabling the preparation of derivatives and analogs; it is evaluated in chemical research and development as a precursor for functionalization (enamine/imine chemistry, acylation) and for access to complex heterocycles; it may be employed in process development and manufacturing workflows at laboratory or industrial scale under applicable regulations; and it is sometimes used in academic and industrial research as a substrate for teaching and method development in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 580.54
    methanol 943.7
    isopropanol 424.79
    water 63.96
    ethyl acetate 442.93
    n-propanol 515.18
    acetone 717.89
    n-butanol 466.77
    acetonitrile 817.11
    DMF 1208.82
    toluene 483.39
    isobutanol 412.28
    1,4-dioxane 810.85
    methyl acetate 503.06
    THF 1006.25
    2-butanone 512.23
    n-pentanol 345.25
    sec-butanol 361.99
    n-hexane 39.58
    ethylene glycol 359.4
    NMP 879.95
    cyclohexane 89.62
    DMSO 718.68
    n-butyl acetate 378.19
    n-octanol 292.06
    chloroform 4303.35
    n-propyl acetate 334.79
    acetic acid 638.5
    dichloromethane 3994.51
    cyclohexanone 895.2
    propylene glycol 285.3
    isopropyl acetate 292.85
    DMAc 679.92
    2-ethoxyethanol 530.96
    isopentanol 357.29
    n-heptane 40.04
    ethyl formate 649.24
    1,2-dichloroethane 1505.47
    n-hexanol 341.2
    2-methoxyethanol 848.79
    isobutyl acetate 240.55
    tetrachloromethane 684.26
    n-pentyl acetate 349.58
    transcutol 688.93
    n-heptanol 237.08
    ethylbenzene 278.11
    MIBK 306.76
    2-propoxyethanol 559.88
    tert-butanol 355.36
    MTBE 257.18
    2-butoxyethanol 387.31
    propionic acid 490.7
    o-xylene 313.9
    formic acid 436.93
    diethyl ether 298.7
    m-xylene 353.78
    p-xylene 382.92
    chlorobenzene 967.63
    dimethyl carbonate 375.2
    n-octane 32.19
    formamide 578.23
    cyclopentanone 1033.88
    2-pentanone 435.07
    anisole 514.6
    cyclopentyl methyl ether 447.95
    gamma-butyrolactone 1286.08
    1-methoxy-2-propanol 541.83
    pyridine 1110.29
    3-pentanone 342.07
    furfural 1409.4
    n-dodecane 37.96
    diethylene glycol 547.35
    diisopropyl ether 107.84
    tert-amyl alcohol 288.21
    acetylacetone 555.9
    n-hexadecane 43.23
    acetophenone 495.46
    methyl propionate 437.91
    isopentyl acetate 333.99
    trichloroethylene 3162.82
    n-nonanol 233.82
    cyclohexanol 416.77
    benzyl alcohol 521.07
    2-ethylhexanol 207.44
    isooctanol 191.96
    dipropyl ether 178.86
    1,2-dichlorobenzene 900.12
    ethyl lactate 258.58
    propylene carbonate 866.0
    n-methylformamide 815.04
    2-pentanol 264.04
    n-pentane 51.37
    1-propoxy-2-propanol 327.6
    1-methoxy-2-propyl acetate 352.9
    2-(2-methoxypropoxy) propanol 283.48
    mesitylene 233.9
    ε-caprolactone 746.28
    p-cymene 183.31
    epichlorohydrin 1513.31
    1,1,1-trichloroethane 1352.21
    2-aminoethanol 465.6
    morpholine-4-carbaldehyde 971.83
    sulfolane 1126.95
    2,2,4-trimethylpentane 34.05
    2-methyltetrahydrofuran 622.69
    n-hexyl acetate 482.5
    isooctane 28.98
    2-(2-butoxyethoxy)ethanol 383.27
    sec-butyl acetate 216.51
    tert-butyl acetate 274.69
    decalin 60.41
    glycerin 409.78
    diglyme 778.59
    acrylic acid 581.65
    isopropyl myristate 186.41
    n-butyric acid 601.46
    acetyl acetate 381.4
    di(2-ethylhexyl) phthalate 208.31
    ethyl propionate 310.43
    nitromethane 1045.44
    1,2-diethoxyethane 311.52
    benzonitrile 924.57
    trioctyl phosphate 152.0
    1-bromopropane 631.14
    gamma-valerolactone 1178.15
    n-decanol 169.77
    triethyl phosphate 175.21
    4-methyl-2-pentanol 160.45
    propionitrile 632.05
    vinylene carbonate 1002.73
    1,1,2-trichlorotrifluoroethane 920.13
    DMS 415.69
    cumene 204.18
    2-octanol 198.21
    2-hexanone 318.43
    octyl acetate 248.03
    limonene 217.07
    1,2-dimethoxyethane 700.15
    ethyl orthosilicate 154.13
    tributyl phosphate 175.52
    diacetone alcohol 311.48
    N,N-dimethylaniline 323.33
    acrylonitrile 1000.56
    aniline 522.25
    1,3-propanediol 535.52
    bromobenzene 1108.29
    dibromomethane 2188.62
    1,1,2,2-tetrachloroethane 1989.38
    2-methyl-cyclohexyl acetate 261.38
    tetrabutyl urea 230.68
    diisobutyl methanol 120.55
    2-phenylethanol 431.32
    styrene 369.92
    dioctyl adipate 248.41
    dimethyl sulfate 507.64
    ethyl butyrate 292.48
    methyl lactate 309.92
    butyl lactate 272.34
    diethyl carbonate 245.66
    propanediol butyl ether 366.86
    triethyl orthoformate 198.61
    p-tert-butyltoluene 161.21
    methyl 4-tert-butylbenzoate 381.63
    morpholine 731.8
    tert-butylamine 238.05
    n-dodecanol 130.51
    dimethoxymethane 723.58
    ethylene carbonate 799.29
    cyrene 349.73
    2-ethoxyethyl acetate 407.53
    2-ethylhexyl acetate 266.92
    1,2,4-trichlorobenzene 940.57
    4-methylpyridine 1016.54
    dibutyl ether 218.49
    2,6-dimethyl-4-heptanol 120.55
    DEF 486.35
    dimethyl isosorbide 511.47
    tetrachloroethylene 1562.26
    eugenol 426.04
    triacetin 386.39
    span 80 276.21
    1,4-butanediol 317.64
    1,1-dichloroethane 1362.75
    2-methyl-1-pentanol 296.97
    methyl formate 849.59
    2-methyl-1-butanol 364.79
    n-decane 55.55
    butyronitrile 688.82
    3,7-dimethyl-1-octanol 206.63
    1-chlorooctane 228.74
    1-chlorotetradecane 97.59
    n-nonane 53.42
    undecane 44.95
    tert-butylcyclohexane 54.12
    cyclooctane 37.66
    cyclopentanol 510.99
    tetrahydropyran 561.06
    tert-amyl methyl ether 204.79
    2,5,8-trioxanonane 503.27
    1-hexene 149.83
    2-isopropoxyethanol 334.96
    2,2,2-trifluoroethanol 384.56
    methyl butyrate 426.71

    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