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

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  • Identifiers

    CAS number
    97826-61-4

    Molecular formula
    C11H17NO

    SMILES
    CCC1=C(C(=O)CC1)N2CCCC2

    Safety labels

  • Odor profile

    Fragrance
    Nutty 38.21%
    Roasted 34.82%
    Popcorn 29.3%
    Caramellic 29.14%
    Burnt 27.42%
    Woody 27.32%
    Sweet 26.65%
    Herbal 25.45%
    Mint 24.49%
    Earthy 23.82%

     

    Flavor
    Bitter 42.73%
    Lovage 22.01%
    Animal 21.81%
    Herbal 21.79%
    Cedarleaf 21.19%
    Basil 20.81%
    Cereal 20.6%
    Outdoor 20.58%
    Shrimp 20.44%
    Alkaline 20.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.53 (neutral)

    Molecular weight
    179.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    284°C

    Flash point

    • 118.32 ˚C est.

  • Synonyms

    • 3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
    • 97826-61-4
    • RefChem:279129
    • 3-ethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one
    • CHEBI:173505
    • DTXSID701249014
    • 3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
    • 97826-61-4

  • Applications

    Chemical name: 3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one; CAS number: 97826-61-4 is a compound commonly used as an intermediate in organic synthesis with practical applications across several industries, including perfumery/fragrance (as an odorant or fragrance intermediate), cosmetics/personal care (as a fragrance ingredient or intermediate), household products (as a fragrance additive in cleaners and detergents), pharmaceuticals (as a synthetic intermediate), and industrial manufacturing (as a chemical building block for material synthesis).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 461.4
    methanol 725.99
    isopropanol 367.9
    water 10.37
    ethyl acetate 296.58
    n-propanol 399.17
    acetone 457.54
    n-butanol 375.46
    acetonitrile 465.2
    DMF 741.62
    toluene 261.72
    isobutanol 332.09
    1,4-dioxane 409.15
    methyl acetate 320.78
    THF 538.85
    2-butanone 370.79
    n-pentanol 249.98
    sec-butanol 308.13
    n-hexane 15.25
    ethylene glycol 231.9
    NMP 581.39
    cyclohexane 37.47
    DMSO 490.5
    n-butyl acetate 277.26
    n-octanol 192.9
    chloroform 2316.28
    n-propyl acetate 224.7
    acetic acid 565.33
    dichloromethane 1985.12
    cyclohexanone 614.3
    propylene glycol 219.18
    isopropyl acetate 217.91
    DMAc 475.96
    2-ethoxyethanol 361.58
    isopentanol 298.23
    n-heptane 18.56
    ethyl formate 444.34
    1,2-dichloroethane 753.27
    n-hexanol 254.37
    2-methoxyethanol 572.56
    isobutyl acetate 164.99
    tetrachloromethane 313.4
    n-pentyl acetate 238.43
    transcutol 552.94
    n-heptanol 177.87
    ethylbenzene 152.79
    MIBK 212.38
    2-propoxyethanol 410.79
    tert-butanol 308.54
    MTBE 161.36
    2-butoxyethanol 300.31
    propionic acid 429.16
    o-xylene 176.03
    formic acid 288.49
    diethyl ether 159.21
    m-xylene 199.35
    p-xylene 199.69
    chlorobenzene 576.61
    dimethyl carbonate 176.4
    n-octane 14.58
    formamide 326.87
    cyclopentanone 716.3
    2-pentanone 282.56
    anisole 287.49
    cyclopentyl methyl ether 240.61
    gamma-butyrolactone 825.06
    1-methoxy-2-propanol 369.85
    pyridine 694.67
    3-pentanone 212.06
    furfural 937.41
    n-dodecane 20.06
    diethylene glycol 392.77
    diisopropyl ether 62.25
    tert-amyl alcohol 243.84
    acetylacetone 359.77
    n-hexadecane 22.66
    acetophenone 329.58
    methyl propionate 254.71
    isopentyl acetate 255.18
    trichloroethylene 1773.51
    n-nonanol 159.83
    cyclohexanol 307.27
    benzyl alcohol 346.83
    2-ethylhexanol 150.18
    isooctanol 147.95
    dipropyl ether 102.33
    1,2-dichlorobenzene 513.2
    ethyl lactate 199.34
    propylene carbonate 608.34
    n-methylformamide 517.43
    2-pentanol 209.12
    n-pentane 21.02
    1-propoxy-2-propanol 249.88
    1-methoxy-2-propyl acetate 253.97
    2-(2-methoxypropoxy) propanol 234.87
    mesitylene 130.26
    ε-caprolactone 550.72
    p-cymene 126.25
    epichlorohydrin 836.33
    1,1,1-trichloroethane 759.7
    2-aminoethanol 333.63
    morpholine-4-carbaldehyde 617.14
    sulfolane 788.71
    2,2,4-trimethylpentane 18.2
    2-methyltetrahydrofuran 348.29
    n-hexyl acetate 324.02
    isooctane 17.57
    2-(2-butoxyethoxy)ethanol 297.65
    sec-butyl acetate 153.0
    tert-butyl acetate 197.27
    decalin 32.28
    glycerin 312.53
    diglyme 518.87
    acrylic acid 459.44
    isopropyl myristate 136.04
    n-butyric acid 553.65
    acetyl acetate 285.63
    di(2-ethylhexyl) phthalate 162.6
    ethyl propionate 201.71
    nitromethane 715.73
    1,2-diethoxyethane 192.12
    benzonitrile 599.39
    trioctyl phosphate 118.26
    1-bromopropane 354.98
    gamma-valerolactone 797.19
    n-decanol 120.33
    triethyl phosphate 130.05
    4-methyl-2-pentanol 127.95
    propionitrile 432.08
    vinylene carbonate 660.19
    1,1,2-trichlorotrifluoroethane 668.41
    DMS 255.58
    cumene 121.73
    2-octanol 132.36
    2-hexanone 215.83
    octyl acetate 178.24
    limonene 143.88
    1,2-dimethoxyethane 407.02
    ethyl orthosilicate 111.84
    tributyl phosphate 125.48
    diacetone alcohol 244.07
    N,N-dimethylaniline 195.03
    acrylonitrile 632.19
    aniline 349.43
    1,3-propanediol 401.85
    bromobenzene 615.7
    dibromomethane 1139.14
    1,1,2,2-tetrachloroethane 1151.65
    2-methyl-cyclohexyl acetate 199.68
    tetrabutyl urea 167.34
    diisobutyl methanol 90.78
    2-phenylethanol 294.07
    styrene 205.27
    dioctyl adipate 194.37
    dimethyl sulfate 272.37
    ethyl butyrate 211.74
    methyl lactate 228.21
    butyl lactate 212.86
    diethyl carbonate 176.67
    propanediol butyl ether 275.49
    triethyl orthoformate 150.4
    p-tert-butyltoluene 109.6
    methyl 4-tert-butylbenzoate 288.77
    morpholine 415.89
    tert-butylamine 178.08
    n-dodecanol 94.47
    dimethoxymethane 355.57
    ethylene carbonate 511.28
    cyrene 260.31
    2-ethoxyethyl acetate 268.87
    2-ethylhexyl acetate 196.7
    1,2,4-trichlorobenzene 567.17
    4-methylpyridine 634.85
    dibutyl ether 131.91
    2,6-dimethyl-4-heptanol 90.78
    DEF 320.77
    dimethyl isosorbide 369.84
    tetrachloroethylene 833.92
    eugenol 301.56
    triacetin 289.28
    span 80 227.08
    1,4-butanediol 228.08
    1,1-dichloroethane 809.73
    2-methyl-1-pentanol 225.24
    methyl formate 489.58
    2-methyl-1-butanol 293.86
    n-decane 28.4
    butyronitrile 453.7
    3,7-dimethyl-1-octanol 161.4
    1-chlorooctane 132.34
    1-chlorotetradecane 60.49
    n-nonane 26.27
    undecane 23.17
    tert-butylcyclohexane 29.51
    cyclooctane 15.07
    cyclopentanol 349.22
    tetrahydropyran 315.32
    tert-amyl methyl ether 130.31
    2,5,8-trioxanonane 344.86
    1-hexene 76.0
    2-isopropoxyethanol 243.6
    2,2,2-trifluoroethanol 269.43
    methyl butyrate 289.41

    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