1H-Pyrrole, 1-ethyl-2-methyl-

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  • Identifiers

    CAS number
    19983-83-6

    Molecular formula
    C7H11N

    SMILES
    CCN1C=CC=C1C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 60.67%
    Nutty 57.42%
    Earthy 48.3%
    Fishy 47.19%
    Green 45.61%
    Musty 45.53%
    Burnt 44.71%
    Animal 42.32%
    Hazelnut 38.2%
    Coffee 37.14%

     

    Flavor
    Nutty 53.05%
    Roasted 41.64%
    Woody 41.47%
    Earthy 39.34%
    Musty 35.74%
    Meaty 32.68%
    Green 32.59%
    Spicy 31.48%
    Herbal 29.73%
    Potato 29.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.33 (neutral)

    Molecular weight
    109.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    178°C

    Flash point

    • 33.8 ˚C est.

  • Synonyms

    • 2-ethyl-3-methylpyrrole
    • 1H-Pyrrole, 1-ethyl-2-methyl-
    • 1-Ethyl-2-methyl-1H-pyrrole
    • N-Ethyl-2-methylpyrrole
    • OL8IR639Z7
    • 19983-83-6
    • UNII-OL8IR639Z7
    • N-Ethyl-2-methylpyrrol
    • SCHEMBL257384
    • SCHEMBL1014066
    • SCHEMBL27673214
    • WBSWPBIIIRQMFK-UHFFFAOYSA-N
    • DTXSID201377139
    • 19983-83-6

  • Applications

    1H-Pyrrole, 1-ethyl-2-methyl- (CAS 19983-83-6) is a versatile building block in organic synthesis, commonly used as an intermediate for pharmaceutical and agrochemical products; it serves as a core scaffold for pyrrole-containing derivatives used in medicinal chemistry, crop protection chemistry, and other polymer- or materials-focused syntheses; it is a precursor in the synthesis of dyes and pigments and can underpin the development of pyrrole-based polymers for electronic, coating, or advanced material applications; in perfumery, some pyrrole derivatives are explored as fragrance ingredients, and this compound may be considered for similar exploration; it is also studied in research and development of new materials in heterocyclic chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1030.44
    methanol 1409.63
    isopropanol 562.36
    water 27.76
    ethyl acetate 554.06
    n-propanol 798.62
    acetone 549.1
    n-butanol 807.65
    acetonitrile 589.8
    DMF 539.0
    toluene 558.62
    isobutanol 573.85
    1,4-dioxane 1175.29
    methyl acetate 492.21
    THF 1228.08
    2-butanone 511.73
    n-pentanol 496.29
    sec-butanol 577.71
    n-hexane 237.14
    ethylene glycol 277.91
    NMP 732.28
    cyclohexane 411.46
    DMSO 621.79
    n-butyl acetate 427.28
    n-octanol 200.7
    chloroform 2835.46
    n-propyl acetate 224.16
    acetic acid 685.83
    dichloromethane 2478.01
    cyclohexanone 760.91
    propylene glycol 266.1
    isopropyl acetate 266.65
    DMAc 554.89
    2-ethoxyethanol 504.21
    isopentanol 571.98
    n-heptane 182.12
    ethyl formate 345.57
    1,2-dichloroethane 1172.49
    n-hexanol 591.69
    2-methoxyethanol 812.58
    isobutyl acetate 159.99
    tetrachloromethane 811.45
    n-pentyl acetate 232.76
    transcutol 1048.19
    n-heptanol 215.29
    ethylbenzene 159.43
    MIBK 216.44
    2-propoxyethanol 702.13
    tert-butanol 519.18
    MTBE 571.4
    2-butoxyethanol 309.3
    propionic acid 476.24
    o-xylene 282.44
    formic acid 498.3
    diethyl ether 869.24
    m-xylene 269.39
    p-xylene 196.33
    chlorobenzene 657.28
    dimethyl carbonate 151.64
    n-octane 59.59
    formamide 467.18
    cyclopentanone 683.69
    2-pentanone 391.75
    anisole 310.16
    cyclopentyl methyl ether 657.23
    gamma-butyrolactone 728.73
    1-methoxy-2-propanol 467.13
    pyridine 976.37
    3-pentanone 405.88
    furfural 663.37
    n-dodecane 40.71
    diethylene glycol 508.68
    diisopropyl ether 211.61
    tert-amyl alcohol 519.31
    acetylacetone 333.76
    n-hexadecane 44.35
    acetophenone 214.23
    methyl propionate 389.6
    isopentyl acetate 325.58
    trichloroethylene 1568.01
    n-nonanol 177.94
    cyclohexanol 671.38
    benzyl alcohol 279.07
    2-ethylhexanol 319.34
    isooctanol 172.77
    dipropyl ether 420.52
    1,2-dichlorobenzene 480.15
    ethyl lactate 113.88
    propylene carbonate 355.49
    n-methylformamide 449.0
    2-pentanol 469.8
    n-pentane 288.56
    1-propoxy-2-propanol 433.35
    1-methoxy-2-propyl acetate 313.88
    2-(2-methoxypropoxy) propanol 256.43
    mesitylene 161.48
    ε-caprolactone 567.11
    p-cymene 143.51
    epichlorohydrin 971.56
    1,1,1-trichloroethane 1153.42
    2-aminoethanol 479.66
    morpholine-4-carbaldehyde 679.1
    sulfolane 660.35
    2,2,4-trimethylpentane 111.42
    2-methyltetrahydrofuran 1138.96
    n-hexyl acetate 275.63
    isooctane 70.88
    2-(2-butoxyethoxy)ethanol 343.3
    sec-butyl acetate 172.02
    tert-butyl acetate 249.38
    decalin 112.38
    glycerin 336.87
    diglyme 572.61
    acrylic acid 422.96
    isopropyl myristate 122.65
    n-butyric acid 606.13
    acetyl acetate 295.44
    di(2-ethylhexyl) phthalate 128.43
    ethyl propionate 212.78
    nitromethane 691.25
    1,2-diethoxyethane 565.58
    benzonitrile 365.01
    trioctyl phosphate 84.73
    1-bromopropane 919.88
    gamma-valerolactone 746.35
    n-decanol 134.87
    triethyl phosphate 129.59
    4-methyl-2-pentanol 219.79
    propionitrile 527.47
    vinylene carbonate 368.54
    1,1,2-trichlorotrifluoroethane 635.5
    DMS 188.81
    cumene 120.89
    2-octanol 145.68
    2-hexanone 253.31
    octyl acetate 152.81
    limonene 256.43
    1,2-dimethoxyethane 604.35
    ethyl orthosilicate 145.4
    tributyl phosphate 115.15
    diacetone alcohol 240.45
    N,N-dimethylaniline 209.17
    acrylonitrile 503.97
    aniline 629.17
    1,3-propanediol 537.29
    bromobenzene 711.54
    dibromomethane 1791.91
    1,1,2,2-tetrachloroethane 1344.29
    2-methyl-cyclohexyl acetate 210.63
    tetrabutyl urea 139.41
    diisobutyl methanol 155.3
    2-phenylethanol 319.48
    styrene 230.66
    dioctyl adipate 158.02
    dimethyl sulfate 211.61
    ethyl butyrate 273.46
    methyl lactate 167.31
    butyl lactate 142.56
    diethyl carbonate 165.4
    propanediol butyl ether 197.79
    triethyl orthoformate 208.89
    p-tert-butyltoluene 141.06
    methyl 4-tert-butylbenzoate 194.89
    morpholine 1175.69
    tert-butylamine 460.06
    n-dodecanol 108.43
    dimethoxymethane 444.47
    ethylene carbonate 342.43
    cyrene 218.25
    2-ethoxyethyl acetate 303.69
    2-ethylhexyl acetate 295.53
    1,2,4-trichlorobenzene 540.98
    4-methylpyridine 781.52
    dibutyl ether 297.22
    2,6-dimethyl-4-heptanol 155.3
    DEF 452.72
    dimethyl isosorbide 383.64
    tetrachloroethylene 1052.29
    eugenol 201.24
    triacetin 199.74
    span 80 233.47
    1,4-butanediol 251.64
    1,1-dichloroethane 1257.96
    2-methyl-1-pentanol 420.89
    methyl formate 306.7
    2-methyl-1-butanol 618.97
    n-decane 64.48
    butyronitrile 564.75
    3,7-dimethyl-1-octanol 210.41
    1-chlorooctane 179.74
    1-chlorotetradecane 80.18
    n-nonane 69.41
    undecane 48.92
    tert-butylcyclohexane 103.76
    cyclooctane 126.26
    cyclopentanol 596.23
    tetrahydropyran 1176.43
    tert-amyl methyl ether 450.09
    2,5,8-trioxanonane 414.13
    1-hexene 400.52
    2-isopropoxyethanol 323.21
    2,2,2-trifluoroethanol 260.5
    methyl butyrate 253.84

    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