2,3-Dihydro-5-propanoyl-1H-pyrrolizine

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  • Identifiers

    CAS number
    80933-76-2

    Molecular formula
    C10H13NO

    SMILES
    CCC(=O)C1=CC=C2N1CCC2

    Safety labels

  • Odor profile

    Fragrance
    Roasted 51.96%
    Nutty 45.6%
    Popcorn 43.51%
    Burnt 28.04%
    Caramellic 26.69%
    Earthy 25.49%
    Animal 24.86%
    Hazelnut 24.62%
    Odorless 23.16%
    Musty 22.59%

     

    Flavor
    Bitter 57.5%
    Roasted 33.14%
    Roast 28.65%
    Nutty 22.72%
    Chip 22.22%
    Corn 22.19%
    Taco 22.18%
    Popcorn 21.8%
    Bread crust 21.61%
    Cereal 21.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.3 (neutral)

    Molecular weight
    163.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    304°C

    Flash point

    • 111.34 ˚C est.

  • Synonyms

    • 5-propionyl-2,3-dihydro-1H-pyrrolizine
    • 2,3-Dihydro-5-propanoyl-1H-pyrrolizine
    • 1-(2,3-dihydro-1H-pyrrolizin-5-yl)propan-1-one
    • 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-propanone
    • 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one
    • CHEBI:173431
    • WOCOJSXECLIQIX-UHFFFAOYSA-N
    • DTXSID701249721
    • 80933-76-2
    • 80933-76-2

  • Applications

    2,3-Dihydro-5-propanoyl-1H-pyrrolizine (CAS 80933-76-2) is principally used as an intermediate in organic synthesis and may serve as a building block for more complex molecules in pharmaceutical, agrochemical, or specialty-chemical development. In perfumery and cosmetics, it may be evaluated as an odor-active component or fragrance precursor. It can also be employed in polymers and plastics chemistry as a functionalized scaffold for specialty materials. In industrial manufacturing, it is used as an intermediate to support routes for coatings, inks, and cleaning formulations. Additionally, it may be explored as a niche fragrance ingredient or a synthetic intermediate in formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 344.77
    methanol 553.85
    isopropanol 237.52
    water 56.11
    ethyl acetate 191.66
    n-propanol 291.61
    acetone 369.54
    n-butanol 247.64
    acetonitrile 469.3
    DMF 815.5
    toluene 243.5
    isobutanol 239.28
    1,4-dioxane 393.73
    methyl acetate 266.78
    THF 403.18
    2-butanone 279.24
    n-pentanol 200.66
    sec-butanol 207.4
    n-hexane 13.31
    ethylene glycol 221.78
    NMP 529.85
    cyclohexane 37.78
    DMSO 524.28
    n-butyl acetate 180.12
    n-octanol 159.45
    chloroform 2659.24
    n-propyl acetate 167.21
    acetic acid 351.9
    dichloromethane 2654.51
    cyclohexanone 460.43
    propylene glycol 172.85
    isopropyl acetate 130.74
    DMAc 507.33
    2-ethoxyethanol 321.32
    isopentanol 194.67
    n-heptane 15.68
    ethyl formate 370.51
    1,2-dichloroethane 924.61
    n-hexanol 162.43
    2-methoxyethanol 491.41
    isobutyl acetate 118.75
    tetrachloromethane 351.04
    n-pentyl acetate 169.24
    transcutol 530.01
    n-heptanol 126.88
    ethylbenzene 153.74
    MIBK 152.65
    2-propoxyethanol 283.45
    tert-butanol 196.57
    MTBE 119.98
    2-butoxyethanol 231.09
    propionic acid 289.41
    o-xylene 177.86
    formic acid 270.16
    diethyl ether 122.78
    m-xylene 168.4
    p-xylene 221.6
    chlorobenzene 556.62
    dimethyl carbonate 178.76
    n-octane 14.33
    formamide 415.69
    cyclopentanone 495.08
    2-pentanone 190.05
    anisole 298.29
    cyclopentyl methyl ether 169.04
    gamma-butyrolactone 629.4
    1-methoxy-2-propanol 287.53
    pyridine 686.81
    3-pentanone 166.58
    furfural 931.9
    n-dodecane 19.03
    diethylene glycol 312.54
    diisopropyl ether 45.38
    tert-amyl alcohol 165.73
    acetylacetone 276.87
    n-hexadecane 21.62
    acetophenone 312.74
    methyl propionate 200.79
    isopentyl acetate 167.01
    trichloroethylene 2025.74
    n-nonanol 130.8
    cyclohexanol 209.93
    benzyl alcohol 330.2
    2-ethylhexanol 110.22
    isooctanol 105.85
    dipropyl ether 81.04
    1,2-dichlorobenzene 552.32
    ethyl lactate 146.67
    propylene carbonate 441.68
    n-methylformamide 538.13
    2-pentanol 130.74
    n-pentane 17.21
    1-propoxy-2-propanol 176.44
    1-methoxy-2-propyl acetate 171.5
    2-(2-methoxypropoxy) propanol 198.42
    mesitylene 110.9
    ε-caprolactone 373.92
    p-cymene 102.31
    epichlorohydrin 815.11
    1,1,1-trichloroethane 741.51
    2-aminoethanol 293.65
    morpholine-4-carbaldehyde 583.0
    sulfolane 681.79
    2,2,4-trimethylpentane 16.09
    2-methyltetrahydrofuran 258.84
    n-hexyl acetate 237.4
    isooctane 12.46
    2-(2-butoxyethoxy)ethanol 254.13
    sec-butyl acetate 106.18
    tert-butyl acetate 129.54
    decalin 30.03
    glycerin 259.2
    diglyme 501.37
    acrylic acid 363.07
    isopropyl myristate 105.6
    n-butyric acid 322.7
    acetyl acetate 187.44
    di(2-ethylhexyl) phthalate 127.96
    ethyl propionate 152.95
    nitromethane 612.47
    1,2-diethoxyethane 181.28
    benzonitrile 592.37
    trioctyl phosphate 86.18
    1-bromopropane 333.36
    gamma-valerolactone 622.05
    n-decanol 98.58
    triethyl phosphate 100.53
    4-methyl-2-pentanol 89.66
    propionitrile 363.35
    vinylene carbonate 577.17
    1,1,2-trichlorotrifluoroethane 564.88
    DMS 218.58
    cumene 115.21
    2-octanol 98.44
    2-hexanone 160.48
    octyl acetate 137.18
    limonene 114.75
    1,2-dimethoxyethane 415.86
    ethyl orthosilicate 89.83
    tributyl phosphate 100.04
    diacetone alcohol 170.93
    N,N-dimethylaniline 205.2
    acrylonitrile 601.61
    aniline 307.29
    1,3-propanediol 321.25
    bromobenzene 628.94
    dibromomethane 1326.7
    1,1,2,2-tetrachloroethane 1251.62
    2-methyl-cyclohexyl acetate 146.04
    tetrabutyl urea 141.59
    diisobutyl methanol 68.53
    2-phenylethanol 235.76
    styrene 216.04
    dioctyl adipate 151.18
    dimethyl sulfate 271.96
    ethyl butyrate 151.08
    methyl lactate 170.47
    butyl lactate 155.7
    diethyl carbonate 139.95
    propanediol butyl ether 224.82
    triethyl orthoformate 112.54
    p-tert-butyltoluene 85.83
    methyl 4-tert-butylbenzoate 236.83
    morpholine 364.6
    tert-butylamine 134.74
    n-dodecanol 77.21
    dimethoxymethane 349.14
    ethylene carbonate 415.73
    cyrene 224.35
    2-ethoxyethyl acetate 219.33
    2-ethylhexyl acetate 131.46
    1,2,4-trichlorobenzene 574.09
    4-methylpyridine 592.58
    dibutyl ether 119.64
    2,6-dimethyl-4-heptanol 68.53
    DEF 271.31
    dimethyl isosorbide 314.99
    tetrachloroethylene 943.99
    eugenol 272.08
    triacetin 220.15
    span 80 174.74
    1,4-butanediol 196.4
    1,1-dichloroethane 812.43
    2-methyl-1-pentanol 179.89
    methyl formate 476.78
    2-methyl-1-butanol 198.55
    n-decane 26.1
    butyronitrile 374.45
    3,7-dimethyl-1-octanol 120.91
    1-chlorooctane 114.33
    1-chlorotetradecane 52.96
    n-nonane 24.05
    undecane 21.42
    tert-butylcyclohexane 25.03
    cyclooctane 14.5
    cyclopentanol 254.7
    tetrahydropyran 242.9
    tert-amyl methyl ether 98.75
    2,5,8-trioxanonane 350.45
    1-hexene 64.15
    2-isopropoxyethanol 199.5
    2,2,2-trifluoroethanol 238.21
    methyl butyrate 229.69

    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