Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2)

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  • Identifiers

    CAS number
    173740-48-2

    Molecular formula
    C34H36K2N4O8

    SMILES
    CC1=C(C(=O)NC1CC2=C(C(=C(N2)C3C(C(=O)C4=C3NC(=C4C)CC5=C(C(=C(N5)C=O)C)CCO)C(=O)[O-])CCC(=O)[O-])C)C=C.[K+].[K+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.47%
    Savory 27.31%
    Roasted 21.68%
    Milky 20.78%
    Cooked 20.5%
    Burnt 19.26%
    Meaty 17.97%
    Bitter 17.27%
    Cooling 17.17%
    Dry 15.29%

     

    Flavor
    Bitter 89.97%
    Odorless 41.71%
    Bland 25.13%
    Sweet-like 20.26%
    Nitrile 19.29%
    Cedarleaf 18.94%
    Very mild 18.56%
    Taco 18.4%
    Bread crust 18.38%
    Very strong 18.07%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.28 (strong acid)

    Molecular weight
    706.9 g/mol

    Flash point

    • 357.25 ˚C est.

  • Synonyms

    • DTXSID501374215
    • 173740-48-2
    • Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2)
    • 173740-48-2

  • Applications

    Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2) is a polyfunctional framework that is primarily utilized as an advanced synthetic intermediate and building block for conjugated heterocycles and macrocyclic architectures. In practice, it is commonly evaluated as a precursor for dye and pigment chemistries and for fluorescent or optically active materials. It is also used as a functional monomer or crosslinkable unit in specialty polymers and coatings formulations, enabling tailored optical properties and binding characteristics. The multiple carboxylate groups can serve as ligands or chelating functionality in coordination chemistry, supporting metal-complex synthesis for catalysts or material applications. In pharmaceutical and agrochemical research, it provides a core scaffold for library compounds and structure-activity exploration, and it is also explored for potential applications in organic electronics and photonic materials, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.07
    methanol 3.46
    isopropanol 0.74
    water 0.01
    ethyl acetate 1.24
    n-propanol 1.13
    acetone 3.3
    n-butanol 0.73
    acetonitrile 0.56
    DMF 38.67
    toluene 0.11
    isobutanol 0.5
    1,4-dioxane 4.44
    methyl acetate 2.85
    THF 10.75
    2-butanone 4.22
    n-pentanol 0.41
    sec-butanol 0.7
    n-hexane 0.01
    ethylene glycol 0.96
    NMP 43.09
    cyclohexane 0.01
    DMSO 19.88
    n-butyl acetate 0.41
    n-octanol 0.12
    chloroform 6.34
    n-propyl acetate 0.73
    acetic acid 9.24
    dichloromethane 4.14
    cyclohexanone 3.45
    propylene glycol 2.21
    isopropyl acetate 0.52
    DMAc 57.54
    2-ethoxyethanol 5.39
    isopentanol 0.39
    n-heptane 0.0
    ethyl formate 1.7
    1,2-dichloroethane 1.33
    n-hexanol 0.15
    2-methoxyethanol 15.28
    isobutyl acetate 0.27
    tetrachloromethane 0.26
    n-pentyl acetate 0.46
    transcutol 4.89
    n-heptanol 0.16
    ethylbenzene 0.05
    MIBK 0.41
    2-propoxyethanol 3.99
    tert-butanol 0.4
    MTBE 0.35
    2-butoxyethanol 2.39
    propionic acid 3.01
    o-xylene 0.06
    formic acid 6.66
    diethyl ether 0.42
    m-xylene 0.05
    p-xylene 0.07
    chlorobenzene 0.26
    dimethyl carbonate 2.91
    n-octane 0.0
    formamide 8.27
    cyclopentanone 9.99
    2-pentanone 1.5
    anisole 0.49
    cyclopentyl methyl ether 0.69
    gamma-butyrolactone 13.8
    1-methoxy-2-propanol 7.48
    pyridine 3.48
    3-pentanone 1.32
    furfural 12.28
    n-dodecane 0.0
    diethylene glycol 3.59
    diisopropyl ether 0.04
    tert-amyl alcohol 0.51
    acetylacetone 2.89
    n-hexadecane 0.0
    acetophenone 0.86
    methyl propionate 2.47
    isopentyl acetate 0.32
    trichloroethylene 7.43
    n-nonanol 0.14
    cyclohexanol 0.34
    benzyl alcohol 0.67
    2-ethylhexanol 0.07
    isooctanol 0.11
    dipropyl ether 0.18
    1,2-dichlorobenzene 0.31
    ethyl lactate 1.04
    propylene carbonate 3.2
    n-methylformamide 11.22
    2-pentanol 0.26
    n-pentane 0.01
    1-propoxy-2-propanol 1.73
    1-methoxy-2-propyl acetate 1.19
    2-(2-methoxypropoxy) propanol 1.9
    mesitylene 0.02
    ε-caprolactone 3.99
    p-cymene 0.02
    epichlorohydrin 12.01
    1,1,1-trichloroethane 0.89
    2-aminoethanol 1.94
    morpholine-4-carbaldehyde 33.56
    sulfolane 23.08
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 2.0
    n-hexyl acetate 0.47
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.43
    sec-butyl acetate 0.32
    tert-butyl acetate 0.4
    decalin 0.0
    glycerin 7.56
    diglyme 6.69
    acrylic acid 4.87
    isopropyl myristate 0.1
    n-butyric acid 2.65
    acetyl acetate 0.95
    di(2-ethylhexyl) phthalate 0.29
    ethyl propionate 0.74
    nitromethane 21.79
    1,2-diethoxyethane 0.67
    benzonitrile 0.38
    trioctyl phosphate 0.15
    1-bromopropane 0.35
    gamma-valerolactone 32.9
    n-decanol 0.08
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.1
    propionitrile 0.62
    vinylene carbonate 3.71
    1,1,2-trichlorotrifluoroethane 26.42
    DMS 1.03
    cumene 0.02
    2-octanol 0.09
    2-hexanone 0.9
    octyl acetate 0.21
    limonene 0.03
    1,2-dimethoxyethane 7.8
    ethyl orthosilicate 0.27
    tributyl phosphate 0.19
    diacetone alcohol 1.49
    N,N-dimethylaniline 0.28
    acrylonitrile 1.46
    aniline 0.46
    1,3-propanediol 3.44
    bromobenzene 0.21
    dibromomethane 1.19
    1,1,2,2-tetrachloroethane 5.23
    2-methyl-cyclohexyl acetate 0.27
    tetrabutyl urea 0.45
    diisobutyl methanol 0.04
    2-phenylethanol 0.34
    styrene 0.07
    dioctyl adipate 0.31
    dimethyl sulfate 8.03
    ethyl butyrate 0.39
    methyl lactate 4.35
    butyl lactate 0.93
    diethyl carbonate 0.31
    propanediol butyl ether 2.0
    triethyl orthoformate 0.43
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.86
    morpholine 7.56
    tert-butylamine 0.08
    n-dodecanol 0.04
    dimethoxymethane 8.29
    ethylene carbonate 2.1
    cyrene 4.3
    2-ethoxyethyl acetate 1.56
    2-ethylhexyl acetate 0.23
    1,2,4-trichlorobenzene 0.72
    4-methylpyridine 1.78
    dibutyl ether 0.12
    2,6-dimethyl-4-heptanol 0.04
    DEF 3.93
    dimethyl isosorbide 2.56
    tetrachloroethylene 2.45
    eugenol 1.18
    triacetin 1.21
    span 80 1.34
    1,4-butanediol 0.95
    1,1-dichloroethane 1.03
    2-methyl-1-pentanol 0.29
    methyl formate 7.25
    2-methyl-1-butanol 0.49
    n-decane 0.0
    butyronitrile 0.42
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.91
    tetrahydropyran 1.29
    tert-amyl methyl ether 0.33
    2,5,8-trioxanonane 3.51
    1-hexene 0.04
    2-isopropoxyethanol 1.87
    2,2,2-trifluoroethanol 3.7
    methyl butyrate 1.29

    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