3-(1-Pyrrolidinyl)-2-butanone

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  • Identifiers

    CAS number
    97073-15-9

    Molecular formula
    C8H15NO

    SMILES
    CC(C(=O)C)N1CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Nutty 40.46%
    Popcorn 38.84%
    Roasted 36.16%
    Fishy 34.53%
    Odorless 30.18%
    Burnt 22.18%
    Sweet 21.12%
    Animal 20.01%
    Meaty 19.82%
    Caramellic 19.7%

     

    Flavor
    Fruity 33.55%
    Roasted 30.5%
    Bitter 23.87%
    Taco 21.24%
    Bouillon 20.55%
    Cooked beef juice 20.19%
    Leaves 20.0%
    Roasted peanuts 19.97%
    Others 19.96%
    Cedarleaf 19.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.47 (weak base)

    Molecular weight
    141.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    195°C

    Flash point

    • 74.28 ˚C est.

  • Synonyms

    • 3-(1-Pyrrolidinyl)-2-butanone
    • 3-(1'-pyrrolidinyl)-2-butanone
    • 3-(pyrrolidin-1-yl)butan-2-one
    • 97073-15-9
    • SCHEMBL859733
    • 3-pyrrolidin-1-ylbutan-2-one
    • SCHEMBL3736698
    • CHEBI:192303
    • IXYTUYCLJBLYKD-UHFFFAOYSA-N
    • DTXSID601308356
    • 2-Butanone, 3-(1-pyrrolidinyl)-
    • AKOS009049847
    • DB-269842
    • 97073-15-9

  • Applications

    3-(1-Pyrrolidinyl)-2-butanone (CAS 97073-15-9) is typically used as an organic synthesis intermediate. In practice, it serves as a building block in pharmaceutical and fine chemicals, enabling the preparation of heterocyclic amines and related actives. It is also evaluated as an intermediate in agrochemical development and as a versatile reagent in research and development programs for specialty chemicals. Additionally, it can be used as a precursor for the synthesis of ketone-containing intermediates in polymer and coating formulations, expanding options for functional materials. Its use in each domain depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1207.12
    methanol 2259.53
    isopropanol 717.97
    water 97.48
    ethyl acetate 326.05
    n-propanol 868.51
    acetone 402.75
    n-butanol 620.65
    acetonitrile 676.9
    DMF 589.65
    toluene 168.55
    isobutanol 575.71
    1,4-dioxane 533.48
    methyl acetate 377.57
    THF 524.34
    2-butanone 352.38
    n-pentanol 356.17
    sec-butanol 541.08
    n-hexane 23.57
    ethylene glycol 541.29
    NMP 522.35
    cyclohexane 31.85
    DMSO 536.45
    n-butyl acetate 202.24
    n-octanol 149.06
    chloroform 1977.62
    n-propyl acetate 146.53
    acetic acid 1141.16
    dichloromethane 1573.22
    cyclohexanone 446.26
    propylene glycol 533.02
    isopropyl acetate 186.62
    DMAc 439.11
    2-ethoxyethanol 524.34
    isopentanol 421.42
    n-heptane 16.16
    ethyl formate 343.36
    1,2-dichloroethane 574.26
    n-hexanol 322.49
    2-methoxyethanol 911.74
    isobutyl acetate 110.62
    tetrachloromethane 330.65
    n-pentyl acetate 143.13
    transcutol 868.02
    n-heptanol 158.2
    ethylbenzene 83.27
    MIBK 160.26
    2-propoxyethanol 533.3
    tert-butanol 484.4
    MTBE 249.42
    2-butoxyethanol 298.89
    propionic acid 699.27
    o-xylene 129.92
    formic acid 836.29
    diethyl ether 260.39
    m-xylene 129.18
    p-xylene 111.45
    chlorobenzene 349.22
    dimethyl carbonate 92.35
    n-octane 9.39
    formamide 524.22
    cyclopentanone 500.96
    2-pentanone 246.98
    anisole 187.36
    cyclopentyl methyl ether 270.35
    gamma-butyrolactone 645.39
    1-methoxy-2-propanol 555.16
    pyridine 501.75
    3-pentanone 190.68
    furfural 739.02
    n-dodecane 10.84
    diethylene glycol 524.12
    diisopropyl ether 66.37
    tert-amyl alcohol 393.95
    acetylacetone 261.44
    n-hexadecane 11.96
    acetophenone 178.59
    methyl propionate 237.13
    isopentyl acetate 177.86
    trichloroethylene 1171.22
    n-nonanol 119.79
    cyclohexanol 347.2
    benzyl alcohol 248.17
    2-ethylhexanol 139.2
    isooctanol 117.36
    dipropyl ether 94.79
    1,2-dichlorobenzene 314.13
    ethyl lactate 135.86
    propylene carbonate 368.74
    n-methylformamide 606.14
    2-pentanol 316.72
    n-pentane 32.28
    1-propoxy-2-propanol 301.21
    1-methoxy-2-propyl acetate 213.51
    2-(2-methoxypropoxy) propanol 205.46
    mesitylene 81.73
    ε-caprolactone 436.54
    p-cymene 70.13
    epichlorohydrin 661.4
    1,1,1-trichloroethane 579.04
    2-aminoethanol 838.98
    morpholine-4-carbaldehyde 536.6
    sulfolane 576.55
    2,2,4-trimethylpentane 26.09
    2-methyltetrahydrofuran 442.78
    n-hexyl acetate 207.13
    isooctane 17.51
    2-(2-butoxyethoxy)ethanol 290.83
    sec-butyl acetate 109.81
    tert-butyl acetate 161.98
    decalin 23.75
    glycerin 627.62
    diglyme 468.56
    acrylic acid 664.75
    isopropyl myristate 68.85
    n-butyric acid 658.9
    acetyl acetate 258.55
    di(2-ethylhexyl) phthalate 91.42
    ethyl propionate 133.43
    nitromethane 877.74
    1,2-diethoxyethane 206.22
    benzonitrile 337.22
    trioctyl phosphate 62.22
    1-bromopropane 345.43
    gamma-valerolactone 647.54
    n-decanol 82.18
    triethyl phosphate 76.52
    4-methyl-2-pentanol 159.47
    propionitrile 494.81
    vinylene carbonate 400.97
    1,1,2-trichlorotrifluoroethane 630.0
    DMS 160.62
    cumene 71.02
    2-octanol 97.55
    2-hexanone 154.71
    octyl acetate 93.03
    limonene 89.23
    1,2-dimethoxyethane 423.86
    ethyl orthosilicate 74.32
    tributyl phosphate 75.23
    diacetone alcohol 236.87
    N,N-dimethylaniline 128.41
    acrylonitrile 631.28
    aniline 333.65
    1,3-propanediol 727.49
    bromobenzene 339.82
    dibromomethane 913.96
    1,1,2,2-tetrachloroethane 847.38
    2-methyl-cyclohexyl acetate 112.38
    tetrabutyl urea 86.34
    diisobutyl methanol 79.21
    2-phenylethanol 218.83
    styrene 102.16
    dioctyl adipate 97.83
    dimethyl sulfate 167.9
    ethyl butyrate 127.84
    methyl lactate 200.94
    butyl lactate 148.23
    diethyl carbonate 92.27
    propanediol butyl ether 284.36
    triethyl orthoformate 98.38
    p-tert-butyltoluene 65.21
    methyl 4-tert-butylbenzoate 162.97
    morpholine 595.87
    tert-butylamine 294.64
    n-dodecanol 59.89
    dimethoxymethane 269.41
    ethylene carbonate 297.21
    cyrene 193.0
    2-ethoxyethyl acetate 198.86
    2-ethylhexyl acetate 131.89
    1,2,4-trichlorobenzene 383.71
    4-methylpyridine 473.68
    dibutyl ether 96.91
    2,6-dimethyl-4-heptanol 79.21
    DEF 291.82
    dimethyl isosorbide 256.76
    tetrachloroethylene 655.27
    eugenol 185.19
    triacetin 190.22
    span 80 178.14
    1,4-butanediol 359.24
    1,1-dichloroethane 744.63
    2-methyl-1-pentanol 274.38
    methyl formate 427.46
    2-methyl-1-butanol 450.3
    n-decane 17.44
    butyronitrile 419.87
    3,7-dimethyl-1-octanol 128.01
    1-chlorooctane 78.12
    1-chlorotetradecane 30.05
    n-nonane 16.21
    undecane 13.25
    tert-butylcyclohexane 27.44
    cyclooctane 12.43
    cyclopentanol 431.97
    tetrahydropyran 374.11
    tert-amyl methyl ether 179.47
    2,5,8-trioxanonane 293.55
    1-hexene 94.57
    2-isopropoxyethanol 291.94
    2,2,2-trifluoroethanol 433.52
    methyl butyrate 185.0

    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