1-Ethyl-2-acetyl pyrrole

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  • Identifiers

    CAS number
    39741-41-8

    Molecular formula
    C8H11NO

    SMILES
    CCN1C=CC=C1C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 67.65%
    Roasted 67.0%
    Popcorn 51.52%
    Burnt 44.17%
    Hazelnut 43.01%
    Earthy 40.12%
    Musty 35.74%
    Caramellic 35.03%
    Meaty 31.91%
    Coffee 31.37%

     

    Flavor
    Nutty 60.21%
    Earthy 41.82%
    Popcorn 41.76%
    Roasted 38.13%
    Roast 37.45%
    Musty 35.42%
    Hazelnut 32.02%
    Corn 31.28%
    Potato 31.13%
    Oily 30.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.39 (neutral)

    Molecular weight
    137.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 209.00 to 211.00 °C. @ 760.00 mm Hg

    Flash point

    • 77.99 ˚C est.

    Solubility expt.

    • Soluble in fixed oils and propylene glycol
    • Soluble (in ethanol)

  • Synonyms

    • 2-Acetyl-1-ethylpyrrole
    • 39741-41-8
    • 1-(1-Ethyl-1H-pyrrol-2-yl)ethanone
    • N-Ethyl-2-acetylpyrrole
    • 1-(1-Ethylpyrrol-2-yl)ethanone
    • 1-Ethyl-2-acetyl pyrrole
    • Ethanone, 1-(1-ethyl-1H-pyrrol-2-yl)-
    • 1-Ethyl-2-acetylpyrrole
    • 1-Ethyl-2-acetylazole
    • 1-N-Ethylpyrrole-2-yl ethanone
    • FEMA No. 3147
    • VX0ULZ3H4U
    • MFCD00191234
    • 1-(1-ethyl-1H-pyrrol-2-yl)ethan-1-one
    • DTXSID6068199
    • 1-ETHYL-2-ACETYL PYRROLE [FHFI]
    • UNII-VX0ULZ3H4U
    • N-Athyl-2-acetylpyrrol
    • SCHEMBL3504148
    • DTXCID2039675
    • 1-(N-Ethylpyrrol-2-yl)ethanone
    • CHEBI:173371
    • AC7924
    • 2-acetyl-1-ethylpyrrole, AldrichCPR
    • AKOS006343942
    • CS-W011055
    • SB62177
    • 1-(1-Ethyl-1H-pyrrol-2-yl)-Ethanone
    • AS-14829
    • SY032665
    • DB-049475
    • A1977
    • NS00122024
    • Q27292059
    • 639-095-4

  • Applications

    1-Ethyl-2-acetyl pyrrole (CAS 39741-41-8) is a substituted pyrrole with an ethyl group at position 1 and an acetyl group at position 2, used primarily as a fragrance intermediate and odorant building block in fragrance chemistry. In practical applications, it may serve as a fragrance ingredient or synthesis intermediate for aroma compounds in perfumery and cosmetics; it can be used as an odorant additive in household products; it may function as a building block for organic synthesis in industrial manufacturing; and it may be explored as an aroma precursor for flavor development in food processing research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 634.81
    methanol 1254.8
    isopropanol 376.34
    water 85.94
    ethyl acetate 240.18
    n-propanol 506.77
    acetone 384.58
    n-butanol 413.28
    acetonitrile 506.64
    DMF 744.32
    toluene 198.03
    isobutanol 368.94
    1,4-dioxane 652.24
    methyl acetate 264.36
    THF 640.29
    2-butanone 279.86
    n-pentanol 286.42
    sec-butanol 318.24
    n-hexane 50.66
    ethylene glycol 412.96
    NMP 608.53
    cyclohexane 54.74
    DMSO 784.59
    n-butyl acetate 152.44
    n-octanol 132.7
    chloroform 1314.28
    n-propyl acetate 125.04
    acetic acid 452.49
    dichloromethane 1563.74
    cyclohexanone 415.29
    propylene glycol 276.64
    isopropyl acetate 137.86
    DMAc 476.04
    2-ethoxyethanol 452.57
    isopentanol 290.43
    n-heptane 29.01
    ethyl formate 256.13
    1,2-dichloroethane 752.41
    n-hexanol 234.72
    2-methoxyethanol 838.6
    isobutyl acetate 92.11
    tetrachloromethane 255.15
    n-pentyl acetate 130.59
    transcutol 617.41
    n-heptanol 115.34
    ethylbenzene 103.2
    MIBK 161.11
    2-propoxyethanol 432.68
    tert-butanol 333.41
    MTBE 241.71
    2-butoxyethanol 211.64
    propionic acid 307.94
    o-xylene 131.72
    formic acid 516.41
    diethyl ether 300.93
    m-xylene 138.34
    p-xylene 131.68
    chlorobenzene 341.38
    dimethyl carbonate 131.14
    n-octane 16.77
    formamide 431.8
    cyclopentanone 499.05
    2-pentanone 245.27
    anisole 222.91
    cyclopentyl methyl ether 316.36
    gamma-butyrolactone 593.46
    1-methoxy-2-propanol 454.56
    pyridine 465.39
    3-pentanone 197.68
    furfural 609.07
    n-dodecane 16.51
    diethylene glycol 452.41
    diisopropyl ether 82.85
    tert-amyl alcohol 279.36
    acetylacetone 263.96
    n-hexadecane 18.53
    acetophenone 186.64
    methyl propionate 226.67
    isopentyl acetate 143.12
    trichloroethylene 1129.07
    n-nonanol 106.62
    cyclohexanol 285.69
    benzyl alcohol 235.31
    2-ethylhexanol 124.97
    isooctanol 94.48
    dipropyl ether 114.38
    1,2-dichlorobenzene 300.58
    ethyl lactate 114.83
    propylene carbonate 294.51
    n-methylformamide 494.3
    2-pentanol 225.45
    n-pentane 53.81
    1-propoxy-2-propanol 213.86
    1-methoxy-2-propyl acetate 161.84
    2-(2-methoxypropoxy) propanol 162.96
    mesitylene 96.6
    ε-caprolactone 350.86
    p-cymene 73.52
    epichlorohydrin 757.4
    1,1,1-trichloroethane 515.41
    2-aminoethanol 514.75
    morpholine-4-carbaldehyde 599.17
    sulfolane 702.85
    2,2,4-trimethylpentane 33.43
    2-methyltetrahydrofuran 434.33
    n-hexyl acetate 196.42
    isooctane 24.98
    2-(2-butoxyethoxy)ethanol 220.62
    sec-butyl acetate 88.67
    tert-butyl acetate 148.95
    decalin 43.06
    glycerin 398.5
    diglyme 412.73
    acrylic acid 330.87
    isopropyl myristate 74.19
    n-butyric acid 330.39
    acetyl acetate 155.3
    di(2-ethylhexyl) phthalate 90.22
    ethyl propionate 132.06
    nitromethane 634.96
    1,2-diethoxyethane 183.87
    benzonitrile 325.33
    trioctyl phosphate 63.41
    1-bromopropane 392.34
    gamma-valerolactone 612.08
    n-decanol 78.35
    triethyl phosphate 79.01
    4-methyl-2-pentanol 124.76
    propionitrile 380.9
    vinylene carbonate 317.38
    1,1,2-trichlorotrifluoroethane 476.92
    DMS 158.66
    cumene 89.51
    2-octanol 88.93
    2-hexanone 149.47
    octyl acetate 95.53
    limonene 100.56
    1,2-dimethoxyethane 510.08
    ethyl orthosilicate 76.78
    tributyl phosphate 74.06
    diacetone alcohol 194.51
    N,N-dimethylaniline 166.87
    acrylonitrile 497.85
    aniline 272.81
    1,3-propanediol 497.58
    bromobenzene 356.72
    dibromomethane 947.26
    1,1,2,2-tetrachloroethane 750.17
    2-methyl-cyclohexyl acetate 113.01
    tetrabutyl urea 98.62
    diisobutyl methanol 70.78
    2-phenylethanol 189.76
    styrene 135.02
    dioctyl adipate 101.12
    dimethyl sulfate 237.64
    ethyl butyrate 117.98
    methyl lactate 165.38
    butyl lactate 109.03
    diethyl carbonate 91.86
    propanediol butyl ether 194.67
    triethyl orthoformate 88.22
    p-tert-butyltoluene 71.18
    methyl 4-tert-butylbenzoate 162.94
    morpholine 627.92
    tert-butylamine 236.15
    n-dodecanol 61.3
    dimethoxymethane 451.45
    ethylene carbonate 246.37
    cyrene 189.9
    2-ethoxyethyl acetate 168.64
    2-ethylhexyl acetate 112.31
    1,2,4-trichlorobenzene 339.39
    4-methylpyridine 430.24
    dibutyl ether 115.45
    2,6-dimethyl-4-heptanol 70.78
    DEF 305.93
    dimethyl isosorbide 270.02
    tetrachloroethylene 579.89
    eugenol 181.27
    triacetin 143.21
    span 80 139.33
    1,4-butanediol 276.62
    1,1-dichloroethane 591.13
    2-methyl-1-pentanol 232.6
    methyl formate 414.02
    2-methyl-1-butanol 325.74
    n-decane 24.74
    butyronitrile 358.79
    3,7-dimethyl-1-octanol 111.99
    1-chlorooctane 96.36
    1-chlorotetradecane 41.46
    n-nonane 24.86
    undecane 19.58
    tert-butylcyclohexane 42.06
    cyclooctane 22.89
    cyclopentanol 346.51
    tetrahydropyran 433.57
    tert-amyl methyl ether 193.24
    2,5,8-trioxanonane 262.86
    1-hexene 130.08
    2-isopropoxyethanol 250.22
    2,2,2-trifluoroethanol 236.49
    methyl butyrate 181.53

    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