1-(2,3-Dihydropyrrol-1-yl)propan-1-one

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  • Identifiers

    CAS number
    185958-72-9

    Molecular formula
    C7H11NO

    SMILES
    CCC(=O)N1CCC=C1

  • Odor profile

    Fragrance
    Roasted 65.74%
    Nutty 63.57%
    Popcorn 58.84%
    Meaty 33.72%
    Fishy 31.15%
    Burnt 29.49%
    Cooked 27.63%
    Caramellic 26.38%
    Hazelnut 25.53%
    Potato 25.51%

     

    Flavor
    Roasted 33.42%
    Bitter 28.54%
    Roast 25.76%
    Cooked 24.69%
    Nutty 24.16%
    Taco 22.16%
    Roasted peanuts 20.68%
    Shrimp 20.36%
    Bread crust 20.22%
    Basil 19.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.25 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 88.58 ˚C est.

  • Synonyms

    • 1-(2,3-dihydropyrrol-1-yl)propan-1-one
    • 185958-72-9
    • 1H-Pyrrole,2,3-dihydro-1-(1-oxopropyl)-(9CI)
    • SCHEMBL16621831
    • DB-268105
    • 1H-Pyrrole, 2,3-dihydro-1-(1-oxopropyl)-

  • Applications

    1-(2,3-Dihydropyrrol-1-yl)propan-1-one is viewed primarily as an intermediate and building block for organic synthesis, notably for constructing heterocyclic frameworks such as pyrrolidine/pyrroline derivatives that appear in drug-like and agrochemical molecules. In the chemical industry, it is regarded as a precursor for functional polymers or related materials. In coatings, inks, and other industrial formulations, it can participate in intermediate steps of synthesis and support process optimization. It is also examined in research and development as a molecular scaffold for exploring heterocycle variations and related applications in materials and advanced chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1104.59
    methanol 2264.49
    isopropanol 623.97
    water 46.06
    ethyl acetate 386.03
    n-propanol 738.76
    acetone 741.16
    n-butanol 611.47
    acetonitrile 948.67
    DMF 1339.87
    toluene 283.07
    isobutanol 589.22
    1,4-dioxane 596.22
    methyl acetate 438.12
    THF 802.74
    2-butanone 568.76
    n-pentanol 520.57
    sec-butanol 550.11
    n-hexane 57.37
    ethylene glycol 424.58
    NMP 1165.86
    cyclohexane 43.89
    DMSO 1204.15
    n-butyl acetate 291.37
    n-octanol 247.19
    chloroform 2439.4
    n-propyl acetate 302.99
    acetic acid 1190.94
    dichloromethane 2525.64
    cyclohexanone 715.67
    propylene glycol 402.11
    isopropyl acetate 275.74
    DMAc 938.59
    2-ethoxyethanol 753.37
    isopentanol 496.81
    n-heptane 27.77
    ethyl formate 456.88
    1,2-dichloroethane 970.48
    n-hexanol 355.37
    2-methoxyethanol 1062.12
    isobutyl acetate 212.29
    tetrachloromethane 349.12
    n-pentyl acetate 268.33
    transcutol 1291.99
    n-heptanol 213.8
    ethylbenzene 166.95
    MIBK 320.87
    2-propoxyethanol 652.07
    tert-butanol 509.96
    MTBE 382.56
    2-butoxyethanol 434.03
    propionic acid 686.73
    o-xylene 192.61
    formic acid 762.7
    diethyl ether 343.24
    m-xylene 201.53
    p-xylene 234.82
    chlorobenzene 608.4
    dimethyl carbonate 212.13
    n-octane 18.55
    formamide 672.25
    cyclopentanone 916.93
    2-pentanone 446.71
    anisole 379.51
    cyclopentyl methyl ether 388.99
    gamma-butyrolactone 1057.46
    1-methoxy-2-propanol 669.19
    pyridine 838.42
    3-pentanone 341.06
    furfural 1208.78
    n-dodecane 21.52
    diethylene glycol 560.86
    diisopropyl ether 119.01
    tert-amyl alcohol 496.24
    acetylacetone 488.58
    n-hexadecane 23.62
    acetophenone 404.3
    methyl propionate 348.56
    isopentyl acetate 276.55
    trichloroethylene 2001.79
    n-nonanol 191.95
    cyclohexanol 380.65
    benzyl alcohol 441.4
    2-ethylhexanol 194.43
    isooctanol 191.76
    dipropyl ether 159.12
    1,2-dichlorobenzene 572.7
    ethyl lactate 213.67
    propylene carbonate 575.48
    n-methylformamide 892.33
    2-pentanol 369.77
    n-pentane 54.58
    1-propoxy-2-propanol 367.94
    1-methoxy-2-propyl acetate 277.99
    2-(2-methoxypropoxy) propanol 318.34
    mesitylene 131.02
    ε-caprolactone 626.32
    p-cymene 105.28
    epichlorohydrin 1116.21
    1,1,1-trichloroethane 771.62
    2-aminoethanol 661.72
    morpholine-4-carbaldehyde 940.12
    sulfolane 1220.87
    2,2,4-trimethylpentane 47.47
    2-methyltetrahydrofuran 612.97
    n-hexyl acetate 396.96
    isooctane 33.13
    2-(2-butoxyethoxy)ethanol 453.78
    sec-butyl acetate 216.69
    tert-butyl acetate 292.56
    decalin 46.86
    glycerin 562.02
    diglyme 754.32
    acrylic acid 738.71
    isopropyl myristate 127.36
    n-butyric acid 717.27
    acetyl acetate 317.77
    di(2-ethylhexyl) phthalate 167.42
    ethyl propionate 263.92
    nitromethane 1276.78
    1,2-diethoxyethane 337.27
    benzonitrile 709.71
    trioctyl phosphate 111.87
    1-bromopropane 552.47
    gamma-valerolactone 1062.27
    n-decanol 133.16
    triethyl phosphate 128.98
    4-methyl-2-pentanol 231.43
    propionitrile 661.8
    vinylene carbonate 619.51
    1,1,2-trichlorotrifluoroethane 856.94
    DMS 287.42
    cumene 140.58
    2-octanol 166.28
    2-hexanone 353.58
    octyl acetate 178.78
    limonene 134.87
    1,2-dimethoxyethane 779.02
    ethyl orthosilicate 123.96
    tributyl phosphate 142.17
    diacetone alcohol 355.82
    N,N-dimethylaniline 279.78
    acrylonitrile 945.37
    aniline 449.09
    1,3-propanediol 661.24
    bromobenzene 637.4
    dibromomethane 1452.31
    1,1,2,2-tetrachloroethane 1339.25
    2-methyl-cyclohexyl acetate 195.26
    tetrabutyl urea 183.62
    diisobutyl methanol 109.66
    2-phenylethanol 324.07
    styrene 243.32
    dioctyl adipate 184.7
    dimethyl sulfate 397.48
    ethyl butyrate 224.96
    methyl lactate 282.82
    butyl lactate 240.39
    diethyl carbonate 167.1
    propanediol butyl ether 437.88
    triethyl orthoformate 156.52
    p-tert-butyltoluene 94.97
    methyl 4-tert-butylbenzoate 299.27
    morpholine 701.68
    tert-butylamine 369.1
    n-dodecanol 97.98
    dimethoxymethane 547.33
    ethylene carbonate 432.06
    cyrene 326.13
    2-ethoxyethyl acetate 323.83
    2-ethylhexyl acetate 206.92
    1,2,4-trichlorobenzene 635.73
    4-methylpyridine 841.43
    dibutyl ether 200.99
    2,6-dimethyl-4-heptanol 109.66
    DEF 605.78
    dimethyl isosorbide 428.88
    tetrachloroethylene 928.44
    eugenol 354.98
    triacetin 319.37
    span 80 271.62
    1,4-butanediol 413.91
    1,1-dichloroethane 964.4
    2-methyl-1-pentanol 456.61
    methyl formate 636.8
    2-methyl-1-butanol 541.61
    n-decane 32.74
    butyronitrile 664.28
    3,7-dimethyl-1-octanol 208.43
    1-chlorooctane 147.41
    1-chlorotetradecane 58.61
    n-nonane 31.21
    undecane 25.61
    tert-butylcyclohexane 52.22
    cyclooctane 19.09
    cyclopentanol 494.87
    tetrahydropyran 445.59
    tert-amyl methyl ether 303.18
    2,5,8-trioxanonane 442.87
    1-hexene 204.08
    2-isopropoxyethanol 476.82
    2,2,2-trifluoroethanol 433.82
    methyl butyrate 389.8

    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