Kryptopyrrole

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  • Identifiers

    CAS number
    517-22-6

    Molecular formula
    C8H13N

    SMILES
    CCC1=C(NC=C1C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Earthy 52.48%
    Roasted 48.01%
    Burnt 47.82%
    Nutty 45.83%
    Musty 45.23%
    Animal 43.65%
    Leathery 41.79%
    Coffee 34.39%
    Phenolic 34.27%
    Smoky 31.97%

     

    Flavor
    Nutty 40.89%
    Musty 39.59%
    Earthy 39.29%
    Roasted 37.69%
    Woody 35.22%
    Burnt 33.0%
    Phenolic 32.16%
    Meaty 31.21%
    Leather 29.72%
    Coffee 29.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.1 (weak base)

    Molecular weight
    123.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    199°C

    Flash point

    • 88.65 ˚C est.

  • Synonyms

    • 517-22-6
    • 3-Ethyl-2,4-dimethyl-1H-pyrrole
    • 2,4-Dimethyl-3-ethylpyrrole
    • Kryptopyrrole
    • 3-Ethyl-2,4-dimethylpyrrole
    • 2,4-Dimethyl-3-ethyl-1H-pyrrole
    • Cryptopyrrole
    • Kryptopyrrol
    • 1H-Pyrrole, 3-ethyl-2,4-dimethyl-
    • PYRROLE, 3-ETHYL-2,4-DIMETHYL-
    • NSC 62025
    • EINECS 208-234-7
    • BRN 0107089
    • 339V6S6PPS
    • MFCD00005222
    • NSC-62025
    • DTXSID20199647
    • 5-20-05-00099 (Beilstein Handbook Reference)
    • UNII-339V6S6PPS
    • SCHEMBL891315
    • DTXCID80122138
    • 3-ethy-2,4-dimethyl-1H-Pyrrole
    • NSC62025
    • 3-Ethyl-2,4-dimethylpyrrole, 97%
    • AKOS006221229
    • AC-1902
    • CS-W016572
    • FS-5219
    • SB63946
    • SY051106
    • DB-027612
    • 1H-Pyrrole, 3-ethyl-2,4-dimethyl-(9CI)
    • E0555
    • NS00032327
    • D70970
    • EN300-176676
    • F0001-1346
    • Z1203730732

  • Applications

    Kryptopyrrole (CAS 517-22-6) is used primarily as an organic-synthesis intermediate to access pyrrole-containing heterocycles, supporting pharmaceutical development and chemical industry applications; it can serve as a research reagent or starting material for preparing pyrrole-bearing compounds for materials science and specialty polymers, including precursors for conductive polymers; it may be used as a reference material or analytical reagent in method development and analytical testing; these applications are typically explored in polymer chemistry and electronics-related materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1564.46
    methanol 2614.4
    isopropanol 809.01
    water 10.22
    ethyl acetate 617.35
    n-propanol 1052.33
    acetone 752.01
    n-butanol 1071.1
    acetonitrile 651.66
    DMF 676.91
    toluene 310.4
    isobutanol 781.5
    1,4-dioxane 1382.67
    methyl acetate 555.37
    THF 2178.95
    2-butanone 658.21
    n-pentanol 784.62
    sec-butanol 724.51
    n-hexane 402.37
    ethylene glycol 196.16
    NMP 665.73
    cyclohexane 292.24
    DMSO 653.33
    n-butyl acetate 792.69
    n-octanol 282.29
    chloroform 1568.45
    n-propyl acetate 381.58
    acetic acid 612.31
    dichloromethane 1511.91
    cyclohexanone 893.07
    propylene glycol 198.14
    isopropyl acetate 407.18
    DMAc 463.31
    2-ethoxyethanol 717.49
    isopentanol 868.77
    n-heptane 225.67
    ethyl formate 495.45
    1,2-dichloroethane 847.17
    n-hexanol 1001.92
    2-methoxyethanol 1100.9
    isobutyl acetate 315.92
    tetrachloromethane 489.21
    n-pentyl acetate 364.55
    transcutol 1184.23
    n-heptanol 364.76
    ethylbenzene 151.25
    MIBK 392.17
    2-propoxyethanol 1127.77
    tert-butanol 890.05
    MTBE 1072.25
    2-butoxyethanol 520.07
    propionic acid 484.75
    o-xylene 180.61
    formic acid 412.8
    diethyl ether 1276.82
    m-xylene 217.61
    p-xylene 201.18
    chlorobenzene 436.64
    dimethyl carbonate 177.77
    n-octane 84.28
    formamide 463.56
    cyclopentanone 971.49
    2-pentanone 612.2
    anisole 303.89
    cyclopentyl methyl ether 923.7
    gamma-butyrolactone 990.08
    1-methoxy-2-propanol 623.46
    pyridine 671.25
    3-pentanone 464.43
    furfural 638.09
    n-dodecane 50.4
    diethylene glycol 538.08
    diisopropyl ether 370.16
    tert-amyl alcohol 742.22
    acetylacetone 407.94
    n-hexadecane 55.56
    acetophenone 221.11
    methyl propionate 441.19
    isopentyl acetate 698.38
    trichloroethylene 1036.3
    n-nonanol 257.54
    cyclohexanol 610.78
    benzyl alcohol 256.55
    2-ethylhexanol 522.97
    isooctanol 295.16
    dipropyl ether 712.32
    1,2-dichlorobenzene 354.22
    ethyl lactate 139.0
    propylene carbonate 473.63
    n-methylformamide 570.73
    2-pentanol 658.12
    n-pentane 339.62
    1-propoxy-2-propanol 669.53
    1-methoxy-2-propyl acetate 484.09
    2-(2-methoxypropoxy) propanol 320.05
    mesitylene 149.44
    ε-caprolactone 653.18
    p-cymene 149.02
    epichlorohydrin 1108.78
    1,1,1-trichloroethane 803.7
    2-aminoethanol 440.01
    morpholine-4-carbaldehyde 656.24
    sulfolane 829.53
    2,2,4-trimethylpentane 150.81
    2-methyltetrahydrofuran 1551.28
    n-hexyl acetate 438.08
    isooctane 122.33
    2-(2-butoxyethoxy)ethanol 465.83
    sec-butyl acetate 274.58
    tert-butyl acetate 447.91
    decalin 123.62
    glycerin 253.14
    diglyme 756.56
    acrylic acid 331.71
    isopropyl myristate 191.15
    n-butyric acid 771.16
    acetyl acetate 273.32
    di(2-ethylhexyl) phthalate 170.9
    ethyl propionate 297.99
    nitromethane 720.96
    1,2-diethoxyethane 850.58
    benzonitrile 340.46
    trioctyl phosphate 137.7
    1-bromopropane 810.26
    gamma-valerolactone 946.7
    n-decanol 201.55
    triethyl phosphate 169.53
    4-methyl-2-pentanol 370.66
    propionitrile 664.33
    vinylene carbonate 410.15
    1,1,2-trichlorotrifluoroethane 476.87
    DMS 247.63
    cumene 137.21
    2-octanol 233.41
    2-hexanone 457.16
    octyl acetate 233.94
    limonene 263.57
    1,2-dimethoxyethane 1014.77
    ethyl orthosilicate 198.21
    tributyl phosphate 176.29
    diacetone alcohol 384.25
    N,N-dimethylaniline 216.05
    acrylonitrile 539.63
    aniline 386.21
    1,3-propanediol 672.2
    bromobenzene 440.07
    dibromomethane 1116.4
    1,1,2,2-tetrachloroethane 772.75
    2-methyl-cyclohexyl acetate 315.78
    tetrabutyl urea 200.45
    diisobutyl methanol 248.95
    2-phenylethanol 364.74
    styrene 190.16
    dioctyl adipate 202.93
    dimethyl sulfate 209.91
    ethyl butyrate 415.61
    methyl lactate 169.23
    butyl lactate 220.46
    diethyl carbonate 242.25
    propanediol butyl ether 288.39
    triethyl orthoformate 309.48
    p-tert-butyltoluene 157.34
    methyl 4-tert-butylbenzoate 252.92
    morpholine 1425.9
    tert-butylamine 757.33
    n-dodecanol 161.81
    dimethoxymethane 752.99
    ethylene carbonate 397.01
    cyrene 263.45
    2-ethoxyethyl acetate 430.38
    2-ethylhexyl acetate 542.85
    1,2,4-trichlorobenzene 371.09
    4-methylpyridine 633.77
    dibutyl ether 444.6
    2,6-dimethyl-4-heptanol 248.95
    DEF 552.19
    dimethyl isosorbide 509.41
    tetrachloroethylene 664.36
    eugenol 257.21
    triacetin 212.29
    span 80 293.94
    1,4-butanediol 279.29
    1,1-dichloroethane 906.31
    2-methyl-1-pentanol 708.09
    methyl formate 412.0
    2-methyl-1-butanol 821.76
    n-decane 84.38
    butyronitrile 798.0
    3,7-dimethyl-1-octanol 304.34
    1-chlorooctane 232.61
    1-chlorotetradecane 102.34
    n-nonane 89.71
    undecane 63.38
    tert-butylcyclohexane 146.42
    cyclooctane 113.13
    cyclopentanol 672.2
    tetrahydropyran 1448.89
    tert-amyl methyl ether 677.5
    2,5,8-trioxanonane 481.12
    1-hexene 710.01
    2-isopropoxyethanol 474.36
    2,2,2-trifluoroethanol 215.96
    methyl butyrate 396.88

    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