1-Ethylpyrrole

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    617-92-5

    Molecular formula
    C6H9N

    SMILES
    CCN1C=CC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 59.45%
    Roasted 59.31%
    Fishy 47.26%
    Burnt 45.99%
    Musty 44.63%
    Earthy 43.58%
    Sweet 40.53%
    Coffee 38.36%
    Animal 38.16%
    Smoky 37.46%

     

    Flavor
    Green 68.66%
    Nutty 58.83%
    Woody 56.63%
    Fatty 49.26%
    Floral 48.36%
    Earthy 47.79%
    Spicy 46.01%
    Fruity 45.64%
    Citrus 41.49%
    Herbal 40.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.5 (neutral)

    Molecular weight
    95.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 25.54 ˚C est.

  • Synonyms

    • N-Ethylpyrrole
    • 1-Ethylpyrrole
    • 617-92-5
    • 1-Ethyl-1H-pyrrole
    • 1H-Pyrrole, 1-ethyl-
    • Pyrrole, 1-ethyl-
    • JCK8RWU2W2
    • NSC-6756
    • DTXSID80870703
    • N-Ethylpyrrole,
    • 92933-61-4
    • 1-ethylpyrrol
    • NSC6756
    • MFCD00060633
    • 1H-Pyrrole, ethyl-
    • UNII-JCK8RWU2W2
    • 1-Ethyl-1H-pyrrole #
    • DTXCID60818401
    • NSC 6756
    • AKOS008965311
    • DB-053992
    • CS-0319715
    • E0444
    • F17504
    • A833424
    • 670-470-5

  • Applications

    1-Ethylpyrrole (CAS 617-92-5) is primarily used as an intermediate in organic synthesis, serving as a building block for pyrrole-based compounds and derivatives in pharmaceutical and agrochemical manufacture. It is also explored as a monomer or component in polymer science for conducting polymers, including polypyrrole and related copolymers, with relevance to electronic materials and protective coatings. In coatings, inks, and dye chemistry, it can act as a precursor for colorants and related formulations. The heteroaromatic structure of 1-ethylpyrrole makes it of interest for fragrance chemistry as a potential odor-active compound in perfumery research. Additionally, it is evaluated in research and development for organic electronics and optoelectronic materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1240.44
    methanol 1390.65
    isopropanol 550.66
    water 9.65
    ethyl acetate 693.95
    n-propanol 815.08
    acetone 767.4
    n-butanol 793.35
    acetonitrile 664.96
    DMF 546.13
    toluene 481.13
    isobutanol 488.53
    1,4-dioxane 1144.57
    methyl acetate 587.66
    THF 1402.0
    2-butanone 614.99
    n-pentanol 471.3
    sec-butanol 519.8
    n-hexane 190.2
    ethylene glycol 263.22
    NMP 713.97
    cyclohexane 312.03
    DMSO 827.57
    n-butyl acetate 582.32
    n-octanol 166.62
    chloroform 2727.34
    n-propyl acetate 265.85
    acetic acid 895.65
    dichloromethane 2404.29
    cyclohexanone 770.07
    propylene glycol 240.74
    isopropyl acetate 282.2
    DMAc 513.06
    2-ethoxyethanol 455.98
    isopentanol 467.74
    n-heptane 188.44
    ethyl formate 401.75
    1,2-dichloroethane 1080.93
    n-hexanol 603.35
    2-methoxyethanol 787.85
    isobutyl acetate 160.05
    tetrachloromethane 643.82
    n-pentyl acetate 241.19
    transcutol 1074.99
    n-heptanol 187.02
    ethylbenzene 117.37
    MIBK 199.08
    2-propoxyethanol 695.07
    tert-butanol 422.54
    MTBE 458.93
    2-butoxyethanol 280.76
    propionic acid 562.14
    o-xylene 209.0
    formic acid 450.32
    diethyl ether 936.56
    m-xylene 208.28
    p-xylene 150.09
    chlorobenzene 603.31
    dimethyl carbonate 145.3
    n-octane 50.33
    formamide 428.24
    cyclopentanone 811.16
    2-pentanone 495.27
    anisole 244.6
    cyclopentyl methyl ether 648.47
    gamma-butyrolactone 855.23
    1-methoxy-2-propanol 429.56
    pyridine 1009.82
    3-pentanone 420.77
    furfural 658.09
    n-dodecane 31.58
    diethylene glycol 474.09
    diisopropyl ether 178.38
    tert-amyl alcohol 380.22
    acetylacetone 386.06
    n-hexadecane 34.93
    acetophenone 177.95
    methyl propionate 453.55
    isopentyl acetate 347.85
    trichloroethylene 1650.47
    n-nonanol 147.11
    cyclohexanol 527.31
    benzyl alcohol 236.06
    2-ethylhexanol 300.15
    isooctanol 137.77
    dipropyl ether 474.54
    1,2-dichlorobenzene 393.24
    ethyl lactate 97.17
    propylene carbonate 404.58
    n-methylformamide 460.37
    2-pentanol 407.52
    n-pentane 244.92
    1-propoxy-2-propanol 482.17
    1-methoxy-2-propyl acetate 346.65
    2-(2-methoxypropoxy) propanol 213.58
    mesitylene 114.19
    ε-caprolactone 606.98
    p-cymene 113.11
    epichlorohydrin 993.01
    1,1,1-trichloroethane 1054.45
    2-aminoethanol 434.3
    morpholine-4-carbaldehyde 666.28
    sulfolane 703.73
    2,2,4-trimethylpentane 75.64
    2-methyltetrahydrofuran 1165.79
    n-hexyl acetate 264.69
    isooctane 51.93
    2-(2-butoxyethoxy)ethanol 314.59
    sec-butyl acetate 163.44
    tert-butyl acetate 214.64
    decalin 77.0
    glycerin 273.41
    diglyme 512.75
    acrylic acid 485.38
    isopropyl myristate 103.19
    n-butyric acid 734.5
    acetyl acetate 358.26
    di(2-ethylhexyl) phthalate 100.52
    ethyl propionate 220.24
    nitromethane 862.27
    1,2-diethoxyethane 622.36
    benzonitrile 351.73
    trioctyl phosphate 68.06
    1-bromopropane 900.97
    gamma-valerolactone 801.05
    n-decanol 109.63
    triethyl phosphate 109.49
    4-methyl-2-pentanol 170.87
    propionitrile 527.66
    vinylene carbonate 378.74
    1,1,2-trichlorotrifluoroethane 618.73
    DMS 181.76
    cumene 80.38
    2-octanol 117.16
    2-hexanone 283.54
    octyl acetate 137.79
    limonene 216.19
    1,2-dimethoxyethane 546.18
    ethyl orthosilicate 120.02
    tributyl phosphate 94.99
    diacetone alcohol 218.21
    N,N-dimethylaniline 141.64
    acrylonitrile 525.01
    aniline 531.33
    1,3-propanediol 513.46
    bromobenzene 650.67
    dibromomethane 1660.8
    1,1,2,2-tetrachloroethane 1208.43
    2-methyl-cyclohexyl acetate 180.6
    tetrabutyl urea 118.07
    diisobutyl methanol 138.32
    2-phenylethanol 272.43
    styrene 189.37
    dioctyl adipate 134.95
    dimethyl sulfate 186.0
    ethyl butyrate 308.06
    methyl lactate 151.5
    butyl lactate 138.37
    diethyl carbonate 161.7
    propanediol butyl ether 177.14
    triethyl orthoformate 194.19
    p-tert-butyltoluene 107.93
    methyl 4-tert-butylbenzoate 149.79
    morpholine 1182.7
    tert-butylamine 352.4
    n-dodecanol 87.29
    dimethoxymethane 444.17
    ethylene carbonate 341.64
    cyrene 168.17
    2-ethoxyethyl acetate 328.66
    2-ethylhexyl acetate 307.02
    1,2,4-trichlorobenzene 452.32
    4-methylpyridine 769.38
    dibutyl ether 286.11
    2,6-dimethyl-4-heptanol 138.32
    DEF 515.94
    dimethyl isosorbide 321.9
    tetrachloroethylene 924.85
    eugenol 152.92
    triacetin 189.21
    span 80 205.49
    1,4-butanediol 213.02
    1,1-dichloroethane 1234.69
    2-methyl-1-pentanol 352.51
    methyl formate 321.17
    2-methyl-1-butanol 488.04
    n-decane 52.48
    butyronitrile 593.75
    3,7-dimethyl-1-octanol 172.94
    1-chlorooctane 146.32
    1-chlorotetradecane 62.92
    n-nonane 57.3
    undecane 38.68
    tert-butylcyclohexane 70.78
    cyclooctane 92.87
    cyclopentanol 554.69
    tetrahydropyran 1210.34
    tert-amyl methyl ether 351.45
    2,5,8-trioxanonane 363.35
    1-hexene 391.46
    2-isopropoxyethanol 282.98
    2,2,2-trifluoroethanol 262.96
    methyl butyrate 276.81

    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

Botanical

Name CAS Botanical Proportion
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.1%