1-(1-Pyrrolidinyl)-2-propanone

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  • Identifiers

    CAS number
    54151-38-1

    Molecular formula
    C7H13NO

    SMILES
    CC(=O)CN1CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Nutty 45.33%
    Fishy 45.24%
    Popcorn 39.97%
    Roasted 35.24%
    Sweet 30.53%
    Caramellic 24.28%
    Cheesy 23.54%
    Odorless 22.74%
    Burnt 22.63%
    Animal 21.77%

     

    Flavor
    Fruity 33.93%
    Roasted 32.49%
    Earthy 24.77%
    Nutty 24.02%
    Roast 21.99%
    Bitter 21.88%
    Taco 21.76%
    Cooked beef juice 21.0%
    Bouillon 20.99%
    Fatty 20.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    8.0 (weak base)

    Molecular weight
    127.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    179°C

    Flash point

    • 72.34 ˚C est.

  • Synonyms

    • 1-(pyrrolidin-1-yl)propan-2-one
    • 54151-38-1
    • 1-(1-Pyrrolidinyl)-2-propanone
    • DTXSID001306738
    • RefChem:1053773
    • DTXCID701736695
    • 1-pyrrolidin-1-ylpropan-2-one
    • 2-Propanone, 1-(1-pyrrolidinyl)- (9CI)
    • 1-(1'-pyrrolidinyl)-2-propanone
    • MFCD12145947
    • 1-Acetonylpyrrolidine
    • 1-acetonyl pyrrolidine
    • SCHEMBL514070
    • SCHEMBL863592
    • CHEBI:169194
    • YZZYFRBPGIXHPD-UHFFFAOYSA-N
    • AKOS005188293
    • SY355428
    • DB-345426
    • CS-0363676
    • F50500
    • 54151-38-1

  • Applications

    1-(1-Pyrrolidinyl)-2-propanone (CAS 54151-38-1) is primarily viewed as an organic-synthesis intermediate and building block, commonly used to construct pyrrolidinyl-containing derivatives and related ketones in chemical development. In industrial contexts such as pharmaceuticals and specialty chemicals, it may serve as a key intermediate in routes to target compounds and as a reagent in synthetic sequences. In research and development laboratories, it is often employed as a starting material for complex synthetic transformations and as a basis for structure-activity exploration. Given its properties and potential regulatory status, usage is governed by local regulations and formulation limits, and it may be encountered as a precursor to cathinone derivatives, underscoring the need for proper handling and compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 684.86
    methanol 1585.6
    isopropanol 434.69
    water 174.36
    ethyl acetate 156.51
    n-propanol 510.27
    acetone 272.17
    n-butanol 343.58
    acetonitrile 275.38
    DMF 536.13
    toluene 61.12
    isobutanol 311.32
    1,4-dioxane 276.78
    methyl acetate 205.95
    THF 291.74
    2-butanone 190.08
    n-pentanol 185.57
    sec-butanol 325.93
    n-hexane 15.39
    ethylene glycol 674.84
    NMP 445.15
    cyclohexane 18.32
    DMSO 378.92
    n-butyl acetate 98.72
    n-octanol 105.78
    chloroform 962.97
    n-propyl acetate 73.67
    acetic acid 1035.88
    dichloromethane 611.97
    cyclohexanone 241.84
    propylene glycol 662.1
    isopropyl acetate 91.97
    DMAc 419.7
    2-ethoxyethanol 332.76
    isopentanol 209.63
    n-heptane 15.51
    ethyl formate 170.16
    1,2-dichloroethane 227.11
    n-hexanol 227.69
    2-methoxyethanol 646.78
    isobutyl acetate 58.47
    tetrachloromethane 143.09
    n-pentyl acetate 71.17
    transcutol 548.34
    n-heptanol 105.14
    ethylbenzene 35.83
    MIBK 85.22
    2-propoxyethanol 405.04
    tert-butanol 308.59
    MTBE 130.12
    2-butoxyethanol 210.99
    propionic acid 568.86
    o-xylene 56.78
    formic acid 844.89
    diethyl ether 119.24
    m-xylene 57.76
    p-xylene 48.56
    chlorobenzene 139.94
    dimethyl carbonate 74.3
    n-octane 6.95
    formamide 370.53
    cyclopentanone 310.34
    2-pentanone 139.44
    anisole 99.95
    cyclopentyl methyl ether 148.91
    gamma-butyrolactone 393.33
    1-methoxy-2-propanol 410.7
    pyridine 220.49
    3-pentanone 110.92
    furfural 436.23
    n-dodecane 7.51
    diethylene glycol 487.42
    diisopropyl ether 32.69
    tert-amyl alcohol 237.42
    acetylacetone 154.33
    n-hexadecane 8.07
    acetophenone 105.42
    methyl propionate 153.64
    isopentyl acetate 88.7
    trichloroethylene 548.33
    n-nonanol 83.98
    cyclohexanol 202.06
    benzyl alcohol 145.86
    2-ethylhexanol 95.69
    isooctanol 76.26
    dipropyl ether 67.69
    1,2-dichlorobenzene 146.7
    ethyl lactate 109.49
    propylene carbonate 231.71
    n-methylformamide 413.89
    2-pentanol 179.3
    n-pentane 19.41
    1-propoxy-2-propanol 240.91
    1-methoxy-2-propyl acetate 135.72
    2-(2-methoxypropoxy) propanol 171.91
    mesitylene 40.93
    ε-caprolactone 240.96
    p-cymene 40.9
    epichlorohydrin 297.39
    1,1,1-trichloroethane 249.52
    2-aminoethanol 775.5
    morpholine-4-carbaldehyde 409.62
    sulfolane 388.14
    2,2,4-trimethylpentane 15.09
    2-methyltetrahydrofuran 220.49
    n-hexyl acetate 122.43
    isooctane 10.8
    2-(2-butoxyethoxy)ethanol 225.03
    sec-butyl acetate 56.67
    tert-butyl acetate 89.23
    decalin 13.07
    glycerin 763.85
    diglyme 337.75
    acrylic acid 612.87
    isopropyl myristate 43.99
    n-butyric acid 425.68
    acetyl acetate 139.5
    di(2-ethylhexyl) phthalate 71.3
    ethyl propionate 75.39
    nitromethane 608.9
    1,2-diethoxyethane 100.56
    benzonitrile 158.61
    trioctyl phosphate 49.99
    1-bromopropane 138.73
    gamma-valerolactone 391.0
    n-decanol 60.46
    triethyl phosphate 53.66
    4-methyl-2-pentanol 88.64
    propionitrile 218.72
    vinylene carbonate 248.13
    1,1,2-trichlorotrifluoroethane 514.29
    DMS 107.2
    cumene 34.9
    2-octanol 64.25
    2-hexanone 80.29
    octyl acetate 63.36
    limonene 54.12
    1,2-dimethoxyethane 263.59
    ethyl orthosilicate 50.18
    tributyl phosphate 55.25
    diacetone alcohol 154.8
    N,N-dimethylaniline 79.22
    acrylonitrile 301.78
    aniline 163.56
    1,3-propanediol 515.71
    bromobenzene 120.63
    dibromomethane 358.8
    1,1,2,2-tetrachloroethane 438.11
    2-methyl-cyclohexyl acetate 73.39
    tetrabutyl urea 68.37
    diisobutyl methanol 53.83
    2-phenylethanol 132.26
    styrene 45.34
    dioctyl adipate 71.28
    dimethyl sulfate 142.15
    ethyl butyrate 72.18
    methyl lactate 195.56
    butyl lactate 99.96
    diethyl carbonate 55.69
    propanediol butyl ether 242.79
    triethyl orthoformate 59.82
    p-tert-butyltoluene 38.92
    methyl 4-tert-butylbenzoate 117.41
    morpholine 321.71
    tert-butylamine 178.98
    n-dodecanol 45.78
    dimethoxymethane 192.37
    ethylene carbonate 174.41
    cyrene 161.25
    2-ethoxyethyl acetate 101.38
    2-ethylhexyl acetate 65.15
    1,2,4-trichlorobenzene 191.3
    4-methylpyridine 203.84
    dibutyl ether 52.2
    2,6-dimethyl-4-heptanol 53.83
    DEF 191.99
    dimethyl isosorbide 192.86
    tetrachloroethylene 323.14
    eugenol 137.45
    triacetin 140.4
    span 80 161.62
    1,4-butanediol 266.75
    1,1-dichloroethane 308.17
    2-methyl-1-pentanol 136.12
    methyl formate 287.66
    2-methyl-1-butanol 237.16
    n-decane 11.56
    butyronitrile 181.74
    3,7-dimethyl-1-octanol 88.51
    1-chlorooctane 47.23
    1-chlorotetradecane 20.09
    n-nonane 11.33
    undecane 8.94
    tert-butylcyclohexane 15.85
    cyclooctane 7.99
    cyclopentanol 273.38
    tetrahydropyran 187.93
    tert-amyl methyl ether 103.84
    2,5,8-trioxanonane 237.84
    1-hexene 50.4
    2-isopropoxyethanol 191.89
    2,2,2-trifluoroethanol 427.91
    methyl butyrate 96.42

    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