3-ethyl-4-methyl-1H-pyrrole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    488-92-6

    Molecular formula
    C7H11N

    SMILES
    CCC1=CNC=C1C

    Safety labels

  • Odor profile

    Fragrance
    Earthy 61.35%
    Nutty 57.67%
    Roasted 57.06%
    Musty 49.69%
    Burnt 46.11%
    Green 43.28%
    Animal 40.77%
    Leathery 39.27%
    Coffee 38.0%
    Sweet 37.79%

     

    Flavor
    Woody 55.72%
    Nutty 53.31%
    Spicy 48.19%
    Earthy 47.71%
    Musty 41.33%
    Herbal 37.99%
    Citrus 35.08%
    Roasted 34.9%
    Leather 34.85%
    Smoky 33.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.77 (neutral)

    Molecular weight
    109.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    187°C

    Flash point

    • 84.42 ˚C est.

  • Synonyms

    • 3-ethyl-4-methyl-1H-pyrrole
    • 488-92-6
    • Opsopyrrol
    • 3-ethyl-4-methyl-pyrrole
    • SCHEMBL6019420
    • SCHEMBL6762874
    • SCHEMBL8205997
    • SCHEMBL28224746
    • DTXSID201310444
    • AKOS006351678
    • 488-92-6

  • Applications

    3-ethyl-4-methyl-1H-pyrrole (CAS 488-92-6) is primarily used as an organic building block and intermediate in pharmaceutical and agrochemical synthesis, enabling the construction of more complex heterocyclic cores. In the fragrance and cosmetics sectors, it can function as an odorant or fragrance ingredient in formulations. It can also serve as a precursor or monomer for specialty polymers and for dye/pigment chemistry, supporting materials for coatings and electronics-related applications. Additionally, it may be evaluated for use in electronics-related materials as a heterocyclic precursor. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1336.18
    methanol 2121.62
    isopropanol 665.96
    water 7.23
    ethyl acetate 557.91
    n-propanol 894.53
    acetone 634.91
    n-butanol 948.17
    acetonitrile 618.98
    DMF 547.73
    toluene 202.36
    isobutanol 623.48
    1,4-dioxane 944.55
    methyl acetate 477.68
    THF 1446.19
    2-butanone 553.57
    n-pentanol 627.73
    sec-butanol 554.53
    n-hexane 170.04
    ethylene glycol 145.46
    NMP 412.93
    cyclohexane 121.32
    DMSO 521.86
    n-butyl acetate 690.6
    n-octanol 179.76
    chloroform 1327.12
    n-propyl acetate 336.18
    acetic acid 612.3
    dichloromethane 1244.01
    cyclohexanone 631.83
    propylene glycol 151.51
    isopropyl acetate 303.11
    DMAc 324.43
    2-ethoxyethanol 564.92
    isopentanol 705.64
    n-heptane 124.32
    ethyl formate 485.72
    1,2-dichloroethane 660.02
    n-hexanol 697.84
    2-methoxyethanol 903.83
    isobutyl acetate 237.15
    tetrachloromethane 369.52
    n-pentyl acetate 288.75
    transcutol 1093.88
    n-heptanol 251.09
    ethylbenzene 90.97
    MIBK 293.38
    2-propoxyethanol 764.88
    tert-butanol 701.06
    MTBE 691.97
    2-butoxyethanol 380.37
    propionic acid 466.35
    o-xylene 116.81
    formic acid 422.98
    diethyl ether 961.42
    m-xylene 136.88
    p-xylene 125.85
    chlorobenzene 320.83
    dimethyl carbonate 127.49
    n-octane 43.7
    formamide 487.73
    cyclopentanone 681.24
    2-pentanone 502.19
    anisole 210.61
    cyclopentyl methyl ether 544.9
    gamma-butyrolactone 704.66
    1-methoxy-2-propanol 473.28
    pyridine 586.39
    3-pentanone 346.66
    furfural 556.65
    n-dodecane 26.11
    diethylene glycol 409.37
    diisopropyl ether 231.74
    tert-amyl alcohol 573.94
    acetylacetone 329.98
    n-hexadecane 28.46
    acetophenone 165.53
    methyl propionate 352.37
    isopentyl acetate 516.13
    trichloroethylene 920.77
    n-nonanol 164.54
    cyclohexanol 408.45
    benzyl alcohol 190.4
    2-ethylhexanol 363.09
    isooctanol 210.18
    dipropyl ether 491.47
    1,2-dichlorobenzene 255.35
    ethyl lactate 102.73
    propylene carbonate 370.19
    n-methylformamide 533.76
    2-pentanol 503.1
    n-pentane 180.15
    1-propoxy-2-propanol 499.78
    1-methoxy-2-propyl acetate 360.79
    2-(2-methoxypropoxy) propanol 226.06
    mesitylene 91.66
    ε-caprolactone 480.67
    p-cymene 98.96
    epichlorohydrin 811.67
    1,1,1-trichloroethane 626.41
    2-aminoethanol 376.15
    morpholine-4-carbaldehyde 452.38
    sulfolane 541.89
    2,2,4-trimethylpentane 84.23
    2-methyltetrahydrofuran 930.08
    n-hexyl acetate 297.94
    isooctane 73.16
    2-(2-butoxyethoxy)ethanol 353.86
    sec-butyl acetate 207.63
    tert-butyl acetate 318.78
    decalin 58.31
    glycerin 197.31
    diglyme 618.88
    acrylic acid 320.15
    isopropyl myristate 121.14
    n-butyric acid 766.09
    acetyl acetate 239.63
    di(2-ethylhexyl) phthalate 109.13
    ethyl propionate 241.17
    nitromethane 689.91
    1,2-diethoxyethane 700.06
    benzonitrile 272.92
    trioctyl phosphate 81.6
    1-bromopropane 639.77
    gamma-valerolactone 733.16
    n-decanol 125.76
    triethyl phosphate 119.29
    4-methyl-2-pentanol 277.34
    propionitrile 593.51
    vinylene carbonate 352.36
    1,1,2-trichlorotrifluoroethane 365.85
    DMS 162.56
    cumene 83.13
    2-octanol 153.99
    2-hexanone 347.68
    octyl acetate 146.9
    limonene 162.22
    1,2-dimethoxyethane 754.28
    ethyl orthosilicate 140.38
    tributyl phosphate 110.01
    diacetone alcohol 302.37
    N,N-dimethylaniline 139.6
    acrylonitrile 525.71
    aniline 306.47
    1,3-propanediol 558.56
    bromobenzene 319.92
    dibromomethane 905.53
    1,1,2,2-tetrachloroethane 633.81
    2-methyl-cyclohexyl acetate 212.41
    tetrabutyl urea 122.46
    diisobutyl methanol 191.32
    2-phenylethanol 255.53
    styrene 124.3
    dioctyl adipate 135.41
    dimethyl sulfate 146.21
    ethyl butyrate 365.73
    methyl lactate 123.33
    butyl lactate 170.47
    diethyl carbonate 205.04
    propanediol butyl ether 202.96
    triethyl orthoformate 241.87
    p-tert-butyltoluene 103.03
    methyl 4-tert-butylbenzoate 170.21
    morpholine 1010.16
    tert-butylamine 560.01
    n-dodecanol 99.65
    dimethoxymethane 520.67
    ethylene carbonate 328.33
    cyrene 174.24
    2-ethoxyethyl acetate 344.96
    2-ethylhexyl acetate 380.4
    1,2,4-trichlorobenzene 254.13
    4-methylpyridine 519.06
    dibutyl ether 292.73
    2,6-dimethyl-4-heptanol 191.32
    DEF 430.25
    dimethyl isosorbide 358.61
    tetrachloroethylene 549.29
    eugenol 185.77
    triacetin 155.52
    span 80 209.27
    1,4-butanediol 224.28
    1,1-dichloroethane 713.92
    2-methyl-1-pentanol 557.63
    methyl formate 332.11
    2-methyl-1-butanol 678.99
    n-decane 44.03
    butyronitrile 703.42
    3,7-dimethyl-1-octanol 204.73
    1-chlorooctane 138.04
    1-chlorotetradecane 58.51
    n-nonane 44.05
    undecane 32.86
    tert-butylcyclohexane 71.67
    cyclooctane 46.46
    cyclopentanol 430.28
    tetrahydropyran 958.69
    tert-amyl methyl ether 430.73
    2,5,8-trioxanonane 369.0
    1-hexene 416.03
    2-isopropoxyethanol 361.06
    2,2,2-trifluoroethanol 199.01
    methyl butyrate 345.08

    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