1-(1-Pyrrolidinyl)-2-butanone

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  • Identifiers

    CAS number
    97073-14-8

    Molecular formula
    C8H15NO

    SMILES
    CCC(=O)CN1CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Fishy 48.16%
    Nutty 42.74%
    Popcorn 40.41%
    Roasted 39.38%
    Cheesy 26.9%
    Odorless 25.18%
    Animal 23.31%
    Meaty 21.2%
    Buttery 20.82%
    Savory 20.3%

     

    Flavor
    Roasted 33.42%
    Fruity 29.01%
    Bitter 25.0%
    Roast 22.4%
    Taco 21.82%
    Earthy 21.43%
    Cooked beef juice 20.96%
    Bouillon 20.91%
    Alkaline 20.78%
    Cauliflower 20.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.05 (weak base)

    Molecular weight
    141.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    202°C

    Flash point

    • 81.5 ˚C est.

  • Synonyms

    • 1-(1-PYRROLIDINYL)-2-BUTANONE
    • 1-(pyrrolidin-1-yl)butan-2-one
    • 97073-14-8
    • KWN7G39HVE
    • DTXSID601308156
    • RefChem:1053772
    • DTXCID201738072
    • 1-pyrrolidin-1-ylbutan-2-one
    • 1-(1'-pyrrolidinyl)-2-butanone
    • SCHEMBL8809555
    • CHEBI:193653
    • FKJHJSJBXISMIR-UHFFFAOYSA-N
    • 2-Butanone, 1-(1-pyrrolidinyl)-
    • AKOS011315789
    • 97073-14-8

  • Applications

    1-(1-Pyrrolidinyl)-2-butanone (CAS 97073-14-8) is primarily used as an intermediate in organic synthesis, serving as a building block for pyrrolidinyl-containing compounds in pharmaceutical development and as an intermediate for agrochemical candidates in the crop-protection sector. It is also encountered in industrial manufacturing as a versatile precursor for the synthesis of specialty chemicals and drug-like molecules, and is commonly used in research and development settings for medicinal chemistry and library generation. Its use is typically limited to controlled environments and handling requirements, and it is subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 630.41
    methanol 1180.97
    isopropanol 374.31
    water 69.81
    ethyl acetate 98.17
    n-propanol 435.53
    acetone 168.29
    n-butanol 313.97
    acetonitrile 252.83
    DMF 416.36
    toluene 64.26
    isobutanol 290.95
    1,4-dioxane 236.4
    methyl acetate 122.07
    THF 232.81
    2-butanone 130.06
    n-pentanol 189.58
    sec-butanol 267.29
    n-hexane 10.86
    ethylene glycol 419.94
    NMP 325.88
    cyclohexane 26.72
    DMSO 314.35
    n-butyl acetate 100.7
    n-octanol 105.95
    chloroform 1256.08
    n-propyl acetate 72.13
    acetic acid 805.6
    dichloromethane 835.4
    cyclohexanone 237.23
    propylene glycol 446.9
    isopropyl acetate 62.14
    DMAc 268.5
    2-ethoxyethanol 271.78
    isopentanol 203.83
    n-heptane 13.7
    ethyl formate 183.73
    1,2-dichloroethane 250.21
    n-hexanol 197.05
    2-methoxyethanol 502.25
    isobutyl acetate 57.67
    tetrachloromethane 162.45
    n-pentyl acetate 72.82
    transcutol 453.44
    n-heptanol 113.36
    ethylbenzene 47.71
    MIBK 61.25
    2-propoxyethanol 269.59
    tert-butanol 260.39
    MTBE 76.49
    2-butoxyethanol 184.69
    propionic acid 436.91
    o-xylene 61.96
    formic acid 553.24
    diethyl ether 64.92
    m-xylene 54.28
    p-xylene 70.91
    chlorobenzene 188.77
    dimethyl carbonate 52.51
    n-octane 7.03
    formamide 372.84
    cyclopentanone 251.95
    2-pentanone 83.08
    anisole 106.77
    cyclopentyl methyl ether 99.06
    gamma-butyrolactone 329.16
    1-methoxy-2-propanol 297.82
    pyridine 302.13
    3-pentanone 67.94
    furfural 501.0
    n-dodecane 8.95
    diethylene glycol 326.68
    diisopropyl ether 21.73
    tert-amyl alcohol 182.47
    acetylacetone 95.98
    n-hexadecane 9.65
    acetophenone 123.72
    methyl propionate 92.53
    isopentyl acetate 90.35
    trichloroethylene 635.29
    n-nonanol 88.36
    cyclohexanol 208.1
    benzyl alcohol 171.77
    2-ethylhexanol 95.0
    isooctanol 83.73
    dipropyl ether 51.91
    1,2-dichlorobenzene 191.57
    ethyl lactate 107.4
    propylene carbonate 243.86
    n-methylformamide 360.24
    2-pentanol 144.72
    n-pentane 14.12
    1-propoxy-2-propanol 183.53
    1-methoxy-2-propyl acetate 100.33
    2-(2-methoxypropoxy) propanol 153.59
    mesitylene 40.54
    ε-caprolactone 223.38
    p-cymene 51.27
    epichlorohydrin 282.0
    1,1,1-trichloroethane 263.36
    2-aminoethanol 632.03
    morpholine-4-carbaldehyde 321.28
    sulfolane 378.15
    2,2,4-trimethylpentane 12.3
    2-methyltetrahydrofuran 157.73
    n-hexyl acetate 115.67
    isooctane 9.35
    2-(2-butoxyethoxy)ethanol 194.05
    sec-butyl acetate 47.84
    tert-butyl acetate 57.97
    decalin 16.28
    glycerin 524.48
    diglyme 297.29
    acrylic acid 491.53
    isopropyl myristate 46.6
    n-butyric acid 404.99
    acetyl acetate 96.95
    di(2-ethylhexyl) phthalate 81.3
    ethyl propionate 62.69
    nitromethane 485.22
    1,2-diethoxyethane 83.66
    benzonitrile 252.68
    trioctyl phosphate 54.39
    1-bromopropane 137.56
    gamma-valerolactone 342.82
    n-decanol 63.5
    triethyl phosphate 61.69
    4-methyl-2-pentanol 79.03
    propionitrile 217.89
    vinylene carbonate 305.88
    1,1,2-trichlorotrifluoroethane 475.99
    DMS 92.88
    cumene 46.5
    2-octanol 68.13
    2-hexanone 71.01
    octyl acetate 64.04
    limonene 62.07
    1,2-dimethoxyethane 236.7
    ethyl orthosilicate 54.7
    tributyl phosphate 59.71
    diacetone alcohol 112.62
    N,N-dimethylaniline 87.46
    acrylonitrile 328.08
    aniline 167.28
    1,3-propanediol 488.72
    bromobenzene 167.97
    dibromomethane 477.96
    1,1,2,2-tetrachloroethane 524.54
    2-methyl-cyclohexyl acetate 84.13
    tetrabutyl urea 77.87
    diisobutyl methanol 54.83
    2-phenylethanol 148.52
    styrene 63.14
    dioctyl adipate 82.59
    dimethyl sulfate 99.62
    ethyl butyrate 75.0
    methyl lactate 140.28
    butyl lactate 111.98
    diethyl carbonate 69.0
    propanediol butyl ether 224.95
    triethyl orthoformate 68.31
    p-tert-butyltoluene 46.04
    methyl 4-tert-butylbenzoate 132.34
    morpholine 271.91
    tert-butylamine 161.3
    n-dodecanol 49.46
    dimethoxymethane 130.81
    ethylene carbonate 204.71
    cyrene 162.04
    2-ethoxyethyl acetate 94.2
    2-ethylhexyl acetate 70.31
    1,2,4-trichlorobenzene 235.35
    4-methylpyridine 233.27
    dibutyl ether 51.05
    2,6-dimethyl-4-heptanol 54.83
    DEF 134.31
    dimethyl isosorbide 192.11
    tetrachloroethylene 392.02
    eugenol 151.03
    triacetin 139.34
    span 80 167.11
    1,4-butanediol 245.42
    1,1-dichloroethane 314.16
    2-methyl-1-pentanol 146.56
    methyl formate 244.45
    2-methyl-1-butanol 211.9
    n-decane 12.44
    butyronitrile 220.09
    3,7-dimethyl-1-octanol 90.05
    1-chlorooctane 47.74
    1-chlorotetradecane 22.99
    n-nonane 11.18
    undecane 10.29
    tert-butylcyclohexane 15.96
    cyclooctane 8.85
    cyclopentanol 272.62
    tetrahydropyran 165.51
    tert-amyl methyl ether 61.95
    2,5,8-trioxanonane 223.9
    1-hexene 43.3
    2-isopropoxyethanol 155.03
    2,2,2-trifluoroethanol 302.49
    methyl butyrate 96.29

    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