3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    97826-62-5

    Molecular formula
    C11H17NO

    SMILES
    CC1CC(=O)C(=C1C)N2CCCC2

    Safety labels

  • Odor profile

    Fragrance
    Nutty 39.2%
    Roasted 39.01%
    Burnt 36.15%
    Caramellic 35.73%
    Sweet 33.32%
    Woody 29.81%
    Popcorn 28.92%
    Earthy 25.55%
    Mint 24.81%
    Musty 22.05%

     

    Flavor
    Bitter 51.22%
    Lovage 21.69%
    Cedarleaf 21.34%
    Basil 21.18%
    Leaves 20.66%
    Ripe apricot 20.53%
    Minty 19.98%
    Outdoor 19.95%
    Red fruit 19.89%
    Cereal 19.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    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.
    291°C

    Flash point

    • 111.69 ˚C est.

  • Synonyms

    • 3,4-dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
    • 3,4-dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one
    • 97826-62-5
    • RefChem:91198
    • SCHEMBL6129249
    • CHEBI:173507
    • DTXSID101224002
    • 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
    • 97826-62-5

  • Applications

    3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one (CAS 97826-62-5) is typically employed as a synthetic intermediate in medicinal chemistry and as a fragrance-related intermediate in perfumery and cosmetics; it can serve as a building block for heterocyclic and stereochemically complex compounds in drug discovery, and it is used in industrial manufacturing as a specialty chemical intermediate for process development. Additionally, the cyclopentenone scaffold may be leveraged in polymer, coatings, or inks research for functionalization and crosslinking in advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 547.17
    methanol 785.68
    isopropanol 484.92
    water 26.69
    ethyl acetate 312.29
    n-propanol 476.27
    acetone 468.3
    n-butanol 442.44
    acetonitrile 564.23
    DMF 621.23
    toluene 265.76
    isobutanol 389.92
    1,4-dioxane 518.17
    methyl acetate 352.44
    THF 621.26
    2-butanone 384.24
    n-pentanol 246.38
    sec-butanol 369.82
    n-hexane 13.38
    ethylene glycol 251.4
    NMP 519.07
    cyclohexane 38.9
    DMSO 399.25
    n-butyl acetate 238.07
    n-octanol 187.26
    chloroform 2485.66
    n-propyl acetate 207.91
    acetic acid 626.41
    dichloromethane 1942.82
    cyclohexanone 591.64
    propylene glycol 262.61
    isopropyl acetate 214.29
    DMAc 407.49
    2-ethoxyethanol 337.61
    isopentanol 336.07
    n-heptane 15.14
    ethyl formate 458.94
    1,2-dichloroethane 687.38
    n-hexanol 266.83
    2-methoxyethanol 618.65
    isobutyl acetate 146.15
    tetrachloromethane 327.97
    n-pentyl acetate 202.29
    transcutol 530.51
    n-heptanol 173.69
    ethylbenzene 139.65
    MIBK 201.24
    2-propoxyethanol 411.68
    tert-butanol 372.29
    MTBE 178.24
    2-butoxyethanol 283.45
    propionic acid 461.46
    o-xylene 182.05
    formic acid 347.09
    diethyl ether 185.49
    m-xylene 198.04
    p-xylene 196.3
    chlorobenzene 513.53
    dimethyl carbonate 161.4
    n-octane 11.76
    formamide 378.49
    cyclopentanone 675.32
    2-pentanone 292.66
    anisole 259.35
    cyclopentyl methyl ether 262.05
    gamma-butyrolactone 835.78
    1-methoxy-2-propanol 413.15
    pyridine 691.13
    3-pentanone 210.97
    furfural 873.19
    n-dodecane 15.92
    diethylene glycol 391.31
    diisopropyl ether 63.13
    tert-amyl alcohol 264.7
    acetylacetone 334.35
    n-hexadecane 18.3
    acetophenone 279.98
    methyl propionate 262.17
    isopentyl acetate 228.74
    trichloroethylene 1631.44
    n-nonanol 147.54
    cyclohexanol 343.48
    benzyl alcohol 321.32
    2-ethylhexanol 141.56
    isooctanol 143.87
    dipropyl ether 86.1
    1,2-dichlorobenzene 453.72
    ethyl lactate 170.67
    propylene carbonate 578.19
    n-methylformamide 531.87
    2-pentanol 244.96
    n-pentane 20.79
    1-propoxy-2-propanol 245.7
    1-methoxy-2-propyl acetate 236.46
    2-(2-methoxypropoxy) propanol 216.23
    mesitylene 123.99
    ε-caprolactone 534.13
    p-cymene 111.15
    epichlorohydrin 839.31
    1,1,1-trichloroethane 768.68
    2-aminoethanol 377.59
    morpholine-4-carbaldehyde 548.7
    sulfolane 690.98
    2,2,4-trimethylpentane 17.87
    2-methyltetrahydrofuran 409.0
    n-hexyl acetate 294.42
    isooctane 16.71
    2-(2-butoxyethoxy)ethanol 280.69
    sec-butyl acetate 140.48
    tert-butyl acetate 188.68
    decalin 27.35
    glycerin 348.25
    diglyme 480.65
    acrylic acid 479.96
    isopropyl myristate 111.04
    n-butyric acid 602.51
    acetyl acetate 281.15
    di(2-ethylhexyl) phthalate 144.45
    ethyl propionate 188.31
    nitromethane 765.79
    1,2-diethoxyethane 169.39
    benzonitrile 544.45
    trioctyl phosphate 103.11
    1-bromopropane 352.09
    gamma-valerolactone 779.79
    n-decanol 109.92
    triethyl phosphate 107.54
    4-methyl-2-pentanol 141.56
    propionitrile 483.62
    vinylene carbonate 631.51
    1,1,2-trichlorotrifluoroethane 622.69
    DMS 227.72
    cumene 109.66
    2-octanol 131.13
    2-hexanone 188.98
    octyl acetate 148.42
    limonene 125.43
    1,2-dimethoxyethane 385.92
    ethyl orthosilicate 94.7
    tributyl phosphate 110.96
    diacetone alcohol 238.65
    N,N-dimethylaniline 167.08
    acrylonitrile 670.94
    aniline 358.49
    1,3-propanediol 472.1
    bromobenzene 527.55
    dibromomethane 1095.67
    1,1,2,2-tetrachloroethane 1072.78
    2-methyl-cyclohexyl acetate 169.67
    tetrabutyl urea 135.62
    diisobutyl methanol 84.85
    2-phenylethanol 288.82
    styrene 170.89
    dioctyl adipate 153.8
    dimethyl sulfate 232.14
    ethyl butyrate 173.89
    methyl lactate 206.78
    butyl lactate 186.13
    diethyl carbonate 144.6
    propanediol butyl ether 265.83
    triethyl orthoformate 123.21
    p-tert-butyltoluene 97.45
    methyl 4-tert-butylbenzoate 256.2
    morpholine 494.37
    tert-butylamine 202.28
    n-dodecanol 84.83
    dimethoxymethane 342.3
    ethylene carbonate 483.87
    cyrene 237.35
    2-ethoxyethyl acetate 241.57
    2-ethylhexyl acetate 170.27
    1,2,4-trichlorobenzene 516.79
    4-methylpyridine 624.37
    dibutyl ether 108.33
    2,6-dimethyl-4-heptanol 84.85
    DEF 283.63
    dimethyl isosorbide 339.46
    tetrachloroethylene 779.08
    eugenol 263.37
    triacetin 257.05
    span 80 210.1
    1,4-butanediol 231.95
    1,1-dichloroethane 834.33
    2-methyl-1-pentanol 223.09
    methyl formate 477.3
    2-methyl-1-butanol 330.87
    n-decane 23.13
    butyronitrile 486.37
    3,7-dimethyl-1-octanol 150.44
    1-chlorooctane 114.87
    1-chlorotetradecane 48.03
    n-nonane 20.85
    undecane 18.79
    tert-butylcyclohexane 25.72
    cyclooctane 13.7
    cyclopentanol 386.63
    tetrahydropyran 376.5
    tert-amyl methyl ether 130.55
    2,5,8-trioxanonane 310.44
    1-hexene 67.39
    2-isopropoxyethanol 224.55
    2,2,2-trifluoroethanol 322.22
    methyl butyrate 262.75

    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