2-Acetyl-1-methyl pyrrole

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  • Identifiers

    CAS number
    932-16-1

    Molecular formula
    C7H9NO

    SMILES
    CC(=O)C1=CC=CN1C

  • Odor profile

    Fragrance
    Sweet 68.85%
    Nutty 62.91%
    Floral 60.15%
    Powdery 43.26%
    Roasted 41.41%
    Hay 40.81%
    Hawthorn 39.63%
    Earthy 39.16%
    Almond 37.94%
    Musty 37.85%

     

    Flavor
    Nutty 58.22%
    Popcorn 45.97%
    Earthy 40.84%
    Roasted 36.83%
    Musty 36.53%
    Roast 35.94%
    Corn 35.54%
    Hazelnut 33.3%
    Burnt 31.57%
    Chip 30.1%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.47 (weak acid)

    Molecular weight
    123.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 200.00 to 202.00 °C. @ 760.00 mm Hg

    Flash point

    • 71.82 ˚C est.

    Solubility expt.

    • Soluble (in ethanol)

  • Synonyms

    • 2-Acetyl-1-methylpyrrole
    • 932-16-1
    • 1-(1-Methyl-1H-pyrrol-2-yl)ethanone
    • 1-(1-Methylpyrrol-2-yl)ethanone
    • N-Methyl-2-acetylpyrrole
    • 1-Methyl-2-acetylpyrrole
    • 2-Acetyl-N-methylpyrrole
    • Methyl 1-methylpyrrol-2-yl ketone
    • ETHANONE, 1-(1-METHYL-1H-PYRROL-2-YL)-
    • 2-acetyl-1-methyl pyrrole
    • 1-(1-Methyl-1H-pyrrol-2-yl)ethan-1-one
    • FEMA No. 3184
    • Ketone, methyl 1-methylpyrrol-2-yl
    • EINECS 213-247-6
    • NSC 87239
    • CHEBI:59982
    • MFCD00003089
    • NSC-87239
    • 6712EFN084
    • 1-(1-methyl-1H-pyrrol-2-yl)-ethanone
    • DTXSID6022139
    • 1H-Pyrrole, 1-methyl-2-acetyl
    • 1-METHYL-2-ACETYLPYRROLE [FHFI]
    • fema 3184
    • UNII-6712EFN084
    • NSC87239
    • Epitope ID:136038
    • SCHEMBL80996
    • DTXCID902139
    • 2-Acetyl-1-methylpyrrole, 98%
    • 1-(1-methyl-2-pyrrolyl)ethanone
    • 1-Methylpyrrol-2-yl methyl ketone
    • AAA93216
    • 1-(1-methyl-pyrrol-2-yl)-ethanone
    • AC1193
    • CCG-40531
    • 1-(1-methylpyrrol-2-yl)-1-ethanone
    • AKOS005207227
    • AC-7331
    • DS-8907
    • 2-Acetyl-1-methylpyrrole, >=98%, FG
    • SY005755
    • 1-(1-Methyl-1H-pyrrol-2-yl)ethanone #
    • DB-020322
    • A1014
    • CS-0128922
    • NS00022883
    • EN300-156890
    • A844478
    • Q27127006
    • Z1255461119
    • 1-(1-Methyl-1H-pyrrol-2-yl)ethanone;2-Acetyl-1-methylpyrrole
    • InChI=1/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H
    • 213-247-6

  • Applications

    2-Acetyl-1-methylpyrrole (CAS 932-16-1) is a key flavor compound employed to impart roasted, smoky, caramel, coffee, almond and cocoa notes in foods, beverages and tobacco; it also serves as a building block in the synthesis of pyrrole-containing pharmaceuticals and pesticides, a model reagent for Maillard reaction studies in food science, a palatability enhancer in animal feed additives, a warm roasted accord in perfumery, an analytical reference standard for aroma evaluation, and a natural flavor precursor generated during the roasting of instant coffee, cocoa, breakfast cereals and snacks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 873.73
    methanol 1540.18
    isopropanol 602.13
    water 363.78
    ethyl acetate 278.33
    n-propanol 742.67
    acetone 404.57
    n-butanol 569.84
    acetonitrile 644.6
    DMF 592.82
    toluene 204.19
    isobutanol 540.79
    1,4-dioxane 628.98
    methyl acetate 325.4
    THF 703.16
    2-butanone 303.52
    n-pentanol 368.28
    sec-butanol 498.24
    n-hexane 61.3
    ethylene glycol 484.09
    NMP 543.37
    cyclohexane 81.12
    DMSO 481.68
    n-butyl acetate 121.95
    n-octanol 103.21
    chloroform 1220.1
    n-propyl acetate 116.8
    acetic acid 887.41
    dichloromethane 1349.75
    cyclohexanone 411.85
    propylene glycol 302.82
    isopropyl acetate 134.32
    DMAc 383.91
    2-ethoxyethanol 558.6
    isopentanol 392.59
    n-heptane 35.34
    ethyl formate 298.3
    1,2-dichloroethane 632.75
    n-hexanol 239.28
    2-methoxyethanol 1000.97
    isobutyl acetate 79.04
    tetrachloromethane 278.36
    n-pentyl acetate 92.81
    transcutol 630.65
    n-heptanol 103.41
    ethylbenzene 82.6
    MIBK 141.24
    2-propoxyethanol 371.05
    tert-butanol 514.37
    MTBE 284.96
    2-butoxyethanol 186.57
    propionic acid 422.77
    o-xylene 126.95
    formic acid 1025.07
    diethyl ether 433.47
    m-xylene 128.15
    p-xylene 111.94
    chlorobenzene 297.05
    dimethyl carbonate 107.82
    n-octane 13.12
    formamide 955.18
    cyclopentanone 434.24
    2-pentanone 240.87
    anisole 188.22
    cyclopentyl methyl ether 347.42
    gamma-butyrolactone 519.68
    1-methoxy-2-propanol 471.55
    pyridine 496.62
    3-pentanone 201.46
    furfural 558.64
    n-dodecane 10.58
    diethylene glycol 415.14
    diisopropyl ether 87.6
    tert-amyl alcohol 394.27
    acetylacetone 204.72
    n-hexadecane 11.56
    acetophenone 142.32
    methyl propionate 236.1
    isopentyl acetate 109.43
    trichloroethylene 959.79
    n-nonanol 87.91
    cyclohexanol 399.32
    benzyl alcohol 210.87
    2-ethylhexanol 115.01
    isooctanol 83.3
    dipropyl ether 119.19
    1,2-dichlorobenzene 243.27
    ethyl lactate 82.67
    propylene carbonate 243.45
    n-methylformamide 557.26
    2-pentanol 308.81
    n-pentane 78.46
    1-propoxy-2-propanol 193.81
    1-methoxy-2-propyl acetate 126.37
    2-(2-methoxypropoxy) propanol 146.68
    mesitylene 76.32
    ε-caprolactone 318.23
    p-cymene 54.73
    epichlorohydrin 679.27
    1,1,1-trichloroethane 540.57
    2-aminoethanol 635.73
    morpholine-4-carbaldehyde 519.61
    sulfolane 457.96
    2,2,4-trimethylpentane 35.48
    2-methyltetrahydrofuran 580.36
    n-hexyl acetate 131.22
    isooctane 21.37
    2-(2-butoxyethoxy)ethanol 207.38
    sec-butyl acetate 82.95
    tert-butyl acetate 133.47
    decalin 31.51
    glycerin 426.73
    diglyme 353.16
    acrylic acid 416.03
    isopropyl myristate 55.26
    n-butyric acid 421.83
    acetyl acetate 154.56
    di(2-ethylhexyl) phthalate 65.85
    ethyl propionate 119.68
    nitromethane 843.3
    1,2-diethoxyethane 185.74
    benzonitrile 244.1
    trioctyl phosphate 44.31
    1-bromopropane 384.39
    gamma-valerolactone 535.64
    n-decanol 64.13
    triethyl phosphate 65.17
    4-methyl-2-pentanol 138.77
    propionitrile 414.7
    vinylene carbonate 271.13
    1,1,2-trichlorotrifluoroethane 434.54
    DMS 113.84
    cumene 67.44
    2-octanol 72.42
    2-hexanone 139.24
    octyl acetate 70.9
    limonene 80.98
    1,2-dimethoxyethane 516.87
    ethyl orthosilicate 66.57
    tributyl phosphate 56.13
    diacetone alcohol 190.62
    N,N-dimethylaniline 132.21
    acrylonitrile 433.35
    aniline 301.18
    1,3-propanediol 666.04
    bromobenzene 270.24
    dibromomethane 819.98
    1,1,2,2-tetrachloroethane 619.39
    2-methyl-cyclohexyl acetate 90.73
    tetrabutyl urea 73.63
    diisobutyl methanol 65.59
    2-phenylethanol 150.82
    styrene 109.84
    dioctyl adipate 75.95
    dimethyl sulfate 157.5
    ethyl butyrate 96.44
    methyl lactate 133.24
    butyl lactate 79.02
    diethyl carbonate 75.05
    propanediol butyl ether 145.6
    triethyl orthoformate 81.59
    p-tert-butyltoluene 50.93
    methyl 4-tert-butylbenzoate 122.26
    morpholine 733.92
    tert-butylamine 345.55
    n-dodecanol 49.57
    dimethoxymethane 400.99
    ethylene carbonate 216.58
    cyrene 170.33
    2-ethoxyethyl acetate 132.35
    2-ethylhexyl acetate 88.04
    1,2,4-trichlorobenzene 269.68
    4-methylpyridine 421.07
    dibutyl ether 96.87
    2,6-dimethyl-4-heptanol 65.59
    DEF 256.27
    dimethyl isosorbide 221.24
    tetrachloroethylene 517.75
    eugenol 135.96
    triacetin 110.5
    span 80 121.92
    1,4-butanediol 302.87
    1,1-dichloroethane 645.88
    2-methyl-1-pentanol 286.72
    methyl formate 424.8
    2-methyl-1-butanol 435.34
    n-decane 17.27
    butyronitrile 405.27
    3,7-dimethyl-1-octanol 98.37
    1-chlorooctane 65.85
    1-chlorotetradecane 26.93
    n-nonane 17.39
    undecane 12.91
    tert-butylcyclohexane 30.45
    cyclooctane 23.15
    cyclopentanol 475.78
    tetrahydropyran 551.26
    tert-amyl methyl ether 213.36
    2,5,8-trioxanonane 239.12
    1-hexene 150.74
    2-isopropoxyethanol 283.06
    2,2,2-trifluoroethanol 381.79
    methyl butyrate 159.69

    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