3-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    41357-00-0

    Molecular formula
    C10H15NO

    SMILES
    CC1=C(C(=O)CC1)N2CCCC2

    Safety labels

  • Odor profile

    Fragrance
    Nutty 41.45%
    Roasted 38.33%
    Sweet 33.35%
    Caramellic 32.76%
    Popcorn 31.94%
    Burnt 31.43%
    Woody 26.92%
    Earthy 24.17%
    Musty 20.82%
    Fishy 20.81%

     

    Flavor
    Bitter 41.3%
    Animal 22.68%
    Roasted 21.76%
    Lovage 21.54%
    Basil 20.86%
    Cereal 20.79%
    Shrimp 20.6%
    Taco 20.54%
    Alkaline 20.48%
    Cedarleaf 20.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.32 (neutral)

    Molecular weight
    165.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    281°C

    Melting point expt.

    • 850 °C

    Flash point

    • 109.92 ˚C est.

  • Synonyms

    • 3-methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
    • 41357-00-0
    • 3-methyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one
    • RefChem:94721
    • 3-Methyl-2-(pyrrolidin-1-yl)cyclopent-2-enone
    • 3-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
    • G5V76JC9QN
    • SCHEMBL120459
    • CHEBI:173451
    • DTXSID801245322
    • 2-Cyclopenten-1-one, 3-methyl-2-(1-pyrrolidinyl)-
    • 41357-00-0

  • Applications

    3-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one (CAS 41357-00-0) is primarily used as an intermediate in organic synthesis for pharmaceutical and agrochemical development; it also serves as a versatile building block for further functionalization in medicinal chemistry research; it is evaluated as a specialty intermediate for polymer and coating formulations that require enone functionality; and in some cases may be explored as a precursor for niche specialty chemicals in research and development settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 667.43
    methanol 1238.6
    isopropanol 472.83
    water 23.71
    ethyl acetate 488.27
    n-propanol 519.03
    acetone 704.57
    n-butanol 504.01
    acetonitrile 693.37
    DMF 909.3
    toluene 232.84
    isobutanol 430.37
    1,4-dioxane 608.18
    methyl acetate 465.57
    THF 859.19
    2-butanone 500.08
    n-pentanol 317.37
    sec-butanol 363.96
    n-hexane 21.74
    ethylene glycol 379.18
    NMP 683.13
    cyclohexane 28.42
    DMSO 744.8
    n-butyl acetate 302.25
    n-octanol 213.35
    chloroform 2436.72
    n-propyl acetate 284.4
    acetic acid 967.49
    dichloromethane 2100.9
    cyclohexanone 660.89
    propylene glycol 321.64
    isopropyl acetate 335.88
    DMAc 563.78
    2-ethoxyethanol 556.95
    isopentanol 418.82
    n-heptane 16.92
    ethyl formate 516.7
    1,2-dichloroethane 887.28
    n-hexanol 297.69
    2-methoxyethanol 960.09
    isobutyl acetate 199.38
    tetrachloromethane 300.93
    n-pentyl acetate 259.46
    transcutol 1036.6
    n-heptanol 186.86
    ethylbenzene 136.67
    MIBK 304.11
    2-propoxyethanol 599.19
    tert-butanol 397.64
    MTBE 290.06
    2-butoxyethanol 397.28
    propionic acid 577.0
    o-xylene 154.26
    formic acid 561.98
    diethyl ether 309.32
    m-xylene 190.57
    p-xylene 174.85
    chlorobenzene 518.45
    dimethyl carbonate 227.58
    n-octane 13.07
    formamide 495.51
    cyclopentanone 855.75
    2-pentanone 440.87
    anisole 308.66
    cyclopentyl methyl ether 383.69
    gamma-butyrolactone 1082.2
    1-methoxy-2-propanol 636.01
    pyridine 668.05
    3-pentanone 296.86
    furfural 1010.32
    n-dodecane 17.39
    diethylene glycol 595.65
    diisopropyl ether 103.29
    tert-amyl alcohol 318.6
    acetylacetone 546.41
    n-hexadecane 19.6
    acetophenone 315.7
    methyl propionate 366.75
    isopentyl acetate 284.46
    trichloroethylene 1932.7
    n-nonanol 167.6
    cyclohexanol 327.81
    benzyl alcohol 328.61
    2-ethylhexanol 157.67
    isooctanol 162.81
    dipropyl ether 129.76
    1,2-dichlorobenzene 469.15
    ethyl lactate 218.82
    propylene carbonate 633.41
    n-methylformamide 703.63
    2-pentanol 296.44
    n-pentane 25.2
    1-propoxy-2-propanol 327.4
    1-methoxy-2-propyl acetate 317.11
    2-(2-methoxypropoxy) propanol 271.38
    mesitylene 126.81
    ε-caprolactone 614.29
    p-cymene 98.99
    epichlorohydrin 1116.3
    1,1,1-trichloroethane 844.26
    2-aminoethanol 493.57
    morpholine-4-carbaldehyde 758.09
    sulfolane 955.19
    2,2,4-trimethylpentane 22.79
    2-methyltetrahydrofuran 542.45
    n-hexyl acetate 386.64
    isooctane 21.56
    2-(2-butoxyethoxy)ethanol 393.7
    sec-butyl acetate 209.15
    tert-butyl acetate 302.36
    decalin 32.16
    glycerin 521.95
    diglyme 690.18
    acrylic acid 609.34
    isopropyl myristate 129.03
    n-butyric acid 730.11
    acetyl acetate 412.6
    di(2-ethylhexyl) phthalate 149.53
    ethyl propionate 252.78
    nitromethane 1156.56
    1,2-diethoxyethane 270.51
    benzonitrile 509.95
    trioctyl phosphate 108.88
    1-bromopropane 426.2
    gamma-valerolactone 962.03
    n-decanol 118.71
    triethyl phosphate 121.83
    4-methyl-2-pentanol 183.3
    propionitrile 544.03
    vinylene carbonate 636.91
    1,1,2-trichlorotrifluoroethane 804.04
    DMS 297.74
    cumene 115.37
    2-octanol 143.62
    2-hexanone 277.98
    octyl acetate 173.31
    limonene 121.48
    1,2-dimethoxyethane 579.18
    ethyl orthosilicate 112.13
    tributyl phosphate 126.53
    diacetone alcohol 352.43
    N,N-dimethylaniline 197.39
    acrylonitrile 788.96
    aniline 349.05
    1,3-propanediol 608.62
    bromobenzene 550.95
    dibromomethane 1169.7
    1,1,2,2-tetrachloroethane 1248.4
    2-methyl-cyclohexyl acetate 179.11
    tetrabutyl urea 151.73
    diisobutyl methanol 99.36
    2-phenylethanol 289.3
    styrene 172.8
    dioctyl adipate 170.37
    dimethyl sulfate 358.24
    ethyl butyrate 213.54
    methyl lactate 288.24
    butyl lactate 229.38
    diethyl carbonate 163.08
    propanediol butyl ether 383.58
    triethyl orthoformate 148.38
    p-tert-butyltoluene 92.8
    methyl 4-tert-butylbenzoate 284.1
    morpholine 613.19
    tert-butylamine 231.07
    n-dodecanol 90.4
    dimethoxymethane 533.83
    ethylene carbonate 516.31
    cyrene 274.01
    2-ethoxyethyl acetate 329.93
    2-ethylhexyl acetate 205.29
    1,2,4-trichlorobenzene 539.39
    4-methylpyridine 638.73
    dibutyl ether 158.81
    2,6-dimethyl-4-heptanol 99.36
    DEF 440.83
    dimethyl isosorbide 387.41
    tetrachloroethylene 901.39
    eugenol 302.71
    triacetin 293.34
    span 80 236.37
    1,4-butanediol 302.0
    1,1-dichloroethane 942.04
    2-methyl-1-pentanol 272.54
    methyl formate 633.42
    2-methyl-1-butanol 394.89
    n-decane 26.64
    butyronitrile 554.09
    3,7-dimethyl-1-octanol 171.18
    1-chlorooctane 132.85
    1-chlorotetradecane 52.5
    n-nonane 23.76
    undecane 20.74
    tert-butylcyclohexane 33.08
    cyclooctane 13.9
    cyclopentanol 394.55
    tetrahydropyran 419.04
    tert-amyl methyl ether 215.87
    2,5,8-trioxanonane 400.58
    1-hexene 102.9
    2-isopropoxyethanol 360.14
    2,2,2-trifluoroethanol 456.78
    methyl butyrate 349.3

    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