5-Methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    97826-64-7

    Molecular formula
    C14H22N2O

    SMILES
    CC1(CC=C(C1=O)N2CCCC2)N3CCCC3

    Safety labels

  • Odor profile

    Fragrance
    Nutty 40.68%
    Fishy 37.85%
    Odorless 36.91%
    Roasted 36.55%
    Popcorn 34.69%
    Burnt 24.75%
    Animal 22.96%
    Meaty 21.5%
    Earthy 20.78%
    Sweet 19.66%

     

    Flavor
    Bitter 76.43%
    Animal 22.72%
    Alkaline 21.5%
    Cereal 20.72%
    Cedarleaf 20.64%
    Shrimp 19.97%
    Very strong 19.43%
    Sweet-like 19.28%
    Nitrile 19.07%
    Indole 18.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.57 (neutral)

    Molecular weight
    234.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 151.54 ˚C est.

  • Synonyms

    • 5-Methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one
    • 97826-64-7
    • RefChem:304008
    • SCHEMBL28277922
    • CHEBI:192320
    • DTXSID301226804
    • 5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one
    • 5-Methyl-2,5-di(pyrrolidin-1-yl)cyclopent-2-en-1-one
    • 97826-64-7

  • Applications

    5-Methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one (CAS 97826-64-7) is typically used as an intermediate in organic synthesis, providing a cyclopentenone core with two pyrrolidinyl substituents for the preparation of pharmaceutical candidates and related heterocyclic compounds. It is commonly employed as a building block in medicinal chemistry and process development. In materials science, it can serve as a functional building block or reactive intermediate for specialty polymers and crosslinking-based formulations. In coatings and inks, it may function as a reactive component that enhances formulation performance, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 200.49
    methanol 304.13
    isopropanol 138.04
    water 7.61
    ethyl acetate 211.09
    n-propanol 177.6
    acetone 189.6
    n-butanol 196.25
    acetonitrile 142.44
    DMF 281.45
    toluene 136.41
    isobutanol 145.21
    1,4-dioxane 223.59
    methyl acetate 169.74
    THF 244.35
    2-butanone 176.4
    n-pentanol 91.94
    sec-butanol 103.9
    n-hexane 2.78
    ethylene glycol 88.83
    NMP 249.76
    cyclohexane 14.08
    DMSO 137.77
    n-butyl acetate 155.7
    n-octanol 48.51
    chloroform 1137.96
    n-propyl acetate 113.28
    acetic acid 422.89
    dichloromethane 789.15
    cyclohexanone 318.12
    propylene glycol 83.03
    isopropyl acetate 165.29
    DMAc 259.66
    2-ethoxyethanol 163.16
    isopentanol 171.39
    n-heptane 2.78
    ethyl formate 240.41
    1,2-dichloroethane 351.43
    n-hexanol 99.59
    2-methoxyethanol 316.14
    isobutyl acetate 91.03
    tetrachloromethane 137.16
    n-pentyl acetate 105.49
    transcutol 390.28
    n-heptanol 60.16
    ethylbenzene 56.05
    MIBK 113.63
    2-propoxyethanol 212.34
    tert-butanol 111.59
    MTBE 71.35
    2-butoxyethanol 148.29
    propionic acid 198.76
    o-xylene 81.85
    formic acid 241.38
    diethyl ether 84.08
    m-xylene 96.57
    p-xylene 79.5
    chlorobenzene 275.54
    dimethyl carbonate 99.47
    n-octane 2.21
    formamide 232.02
    cyclopentanone 298.8
    2-pentanone 153.29
    anisole 100.66
    cyclopentyl methyl ether 121.5
    gamma-butyrolactone 390.95
    1-methoxy-2-propanol 200.09
    pyridine 341.01
    3-pentanone 119.63
    furfural 440.58
    n-dodecane 3.41
    diethylene glycol 204.6
    diisopropyl ether 30.16
    tert-amyl alcohol 86.11
    acetylacetone 200.84
    n-hexadecane 4.07
    acetophenone 129.93
    methyl propionate 148.54
    isopentyl acetate 143.47
    trichloroethylene 852.21
    n-nonanol 47.95
    cyclohexanol 163.81
    benzyl alcohol 150.75
    2-ethylhexanol 56.94
    isooctanol 53.43
    dipropyl ether 34.74
    1,2-dichlorobenzene 255.49
    ethyl lactate 89.62
    propylene carbonate 309.65
    n-methylformamide 216.79
    2-pentanol 97.48
    n-pentane 4.98
    1-propoxy-2-propanol 127.36
    1-methoxy-2-propyl acetate 154.29
    2-(2-methoxypropoxy) propanol 114.56
    mesitylene 57.0
    ε-caprolactone 310.14
    p-cymene 43.86
    epichlorohydrin 391.43
    1,1,1-trichloroethane 374.28
    2-aminoethanol 140.7
    morpholine-4-carbaldehyde 300.25
    sulfolane 278.95
    2,2,4-trimethylpentane 6.47
    2-methyltetrahydrofuran 167.45
    n-hexyl acetate 123.91
    isooctane 5.13
    2-(2-butoxyethoxy)ethanol 153.91
    sec-butyl acetate 86.89
    tert-butyl acetate 117.48
    decalin 9.96
    glycerin 152.88
    diglyme 266.6
    acrylic acid 223.44
    isopropyl myristate 47.01
    n-butyric acid 378.5
    acetyl acetate 215.97
    di(2-ethylhexyl) phthalate 70.06
    ethyl propionate 103.26
    nitromethane 399.49
    1,2-diethoxyethane 104.17
    benzonitrile 225.02
    trioctyl phosphate 45.29
    1-bromopropane 150.32
    gamma-valerolactone 412.98
    n-decanol 35.63
    triethyl phosphate 60.32
    4-methyl-2-pentanol 71.28
    propionitrile 143.19
    vinylene carbonate 341.41
    1,1,2-trichlorotrifluoroethane 362.93
    DMS 126.08
    cumene 44.53
    2-octanol 38.73
    2-hexanone 84.85
    octyl acetate 60.46
    limonene 50.05
    1,2-dimethoxyethane 182.62
    ethyl orthosilicate 56.67
    tributyl phosphate 56.3
    diacetone alcohol 125.98
    N,N-dimethylaniline 72.76
    acrylonitrile 209.57
    aniline 186.97
    1,3-propanediol 239.45
    bromobenzene 273.32
    dibromomethane 437.49
    1,1,2,2-tetrachloroethane 556.24
    2-methyl-cyclohexyl acetate 84.73
    tetrabutyl urea 64.7
    diisobutyl methanol 36.11
    2-phenylethanol 134.71
    styrene 73.31
    dioctyl adipate 73.57
    dimethyl sulfate 134.98
    ethyl butyrate 93.02
    methyl lactate 123.37
    butyl lactate 105.2
    diethyl carbonate 82.3
    propanediol butyl ether 118.27
    triethyl orthoformate 73.96
    p-tert-butyltoluene 37.4
    methyl 4-tert-butylbenzoate 116.62
    morpholine 238.25
    tert-butylamine 61.27
    n-dodecanol 27.35
    dimethoxymethane 168.11
    ethylene carbonate 283.21
    cyrene 138.63
    2-ethoxyethyl acetate 157.07
    2-ethylhexyl acetate 111.16
    1,2,4-trichlorobenzene 275.67
    4-methylpyridine 301.4
    dibutyl ether 37.22
    2,6-dimethyl-4-heptanol 36.11
    DEF 163.41
    dimethyl isosorbide 174.45
    tetrachloroethylene 443.45
    eugenol 126.51
    triacetin 127.2
    span 80 98.08
    1,4-butanediol 91.63
    1,1-dichloroethane 386.27
    2-methyl-1-pentanol 103.99
    methyl formate 209.42
    2-methyl-1-butanol 150.74
    n-decane 5.07
    butyronitrile 170.42
    3,7-dimethyl-1-octanol 53.22
    1-chlorooctane 30.25
    1-chlorotetradecane 14.1
    n-nonane 3.83
    undecane 4.03
    tert-butylcyclohexane 8.22
    cyclooctane 4.87
    cyclopentanol 139.68
    tetrahydropyran 173.02
    tert-amyl methyl ether 57.24
    2,5,8-trioxanonane 167.11
    1-hexene 17.25
    2-isopropoxyethanol 113.99
    2,2,2-trifluoroethanol 225.75
    methyl butyrate 137.07

    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