3-Acetyl-1-methylpyrrole

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  • Identifiers

    CAS number
    932-62-7

    Molecular formula
    C7H9NO

    SMILES
    CC(=O)C1=CN(C=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 67.51%
    Nutty 57.45%
    Floral 54.74%
    Hay 42.44%
    Hawthorn 42.03%
    Powdery 41.76%
    Roasted 41.19%
    Almond 38.45%
    Vanilla 37.51%
    Coumarinic 37.25%

     

    Flavor
    Sweet 70.03%
    Woody 49.8%
    Nutty 42.25%
    Tobacco 40.56%
    Hawthorn 39.15%
    Phenolic 35.62%
    Powdery 34.19%
    Dry 31.61%
    Vanilla 30.96%
    Caramel 30.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    5.9 (weak acid)

    Molecular weight
    123.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point

    • 74.66 ˚C est.

  • Synonyms

    • 3-Acetyl-1-methylpyrrole
    • 1-(1-methylpyrrol-3-yl)ethanone
    • DTXSID00335147
    • RefChem:419840
    • DTXCID50286236
    • 932-62-7
    • 1-(1-Methyl-1H-pyrrol-3-yl)ethanone
    • 1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one
    • MFCD00011563
    • 1-(1-methyl-1H-pyrrol-3-yl)-ethanone
    • 3-acetyl-1-methyl-1H-pyrrole
    • Ethanone, 1-(1-methyl-1H-pyrrol-3-yl)-
    • 3-acetyl-N-methylpyrrole
    • 1-methyl-3-acetylpyrrole
    • SCHEMBL334557
    • SZYIVZGXCXFXDN-UHFFFAOYSA-
    • 3-Acetyl-1-methylpyrrole, 99%
    • AKOS000343555
    • FA62800
    • SB62203
    • BS-23038
    • SY102015
    • 1-(1-Methyl-1H-pyrrol-3-yl)ethanone #
    • CS-0204236
    • D87533
    • EN300-215746
    • Z1255475557
    • InChI=1/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3
    • 932-62-7

  • Applications

    3-Acetyl-1-methylpyrrole (CAS 932-62-7) finds use mainly as an aroma and flavor compound across several sectors: in perfumery, as an odorant or fragrance ingredient contributing roasted or green notes; in flavor applications, as a minor component to enhance savory or roasted character; in cosmetics and personal care, as a fragrance ingredient in scented products; in household products such as air fresheners and cleaners, as an odorant to impart or reinforce fragrance; in industrial manufacturing, as an intermediate in organic synthesis for pharmaceutical or agrochemical research; and in polymers and materials science, where it may be evaluated as a building block or modifier for specialty polymers or fragrance-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 800.74
    methanol 1288.74
    isopropanol 613.95
    water 322.12
    ethyl acetate 276.39
    n-propanol 606.13
    acetone 490.95
    n-butanol 445.21
    acetonitrile 458.1
    DMF 1128.53
    toluene 142.74
    isobutanol 436.62
    1,4-dioxane 524.77
    methyl acetate 380.14
    THF 437.48
    2-butanone 340.89
    n-pentanol 220.52
    sec-butanol 449.7
    n-hexane 17.31
    ethylene glycol 663.52
    NMP 508.33
    cyclohexane 19.92
    DMSO 573.07
    n-butyl acetate 67.43
    n-octanol 96.07
    chloroform 881.2
    n-propyl acetate 82.48
    acetic acid 436.44
    dichloromethane 730.79
    cyclohexanone 284.67
    propylene glycol 613.57
    isopropyl acetate 125.8
    DMAc 715.16
    2-ethoxyethanol 386.61
    isopentanol 266.91
    n-heptane 12.89
    ethyl formate 245.03
    1,2-dichloroethane 315.43
    n-hexanol 200.32
    2-methoxyethanol 1001.92
    isobutyl acetate 59.24
    tetrachloromethane 160.77
    n-pentyl acetate 62.92
    transcutol 355.53
    n-heptanol 97.86
    ethylbenzene 65.57
    MIBK 130.84
    2-propoxyethanol 362.04
    tert-butanol 458.72
    MTBE 206.91
    2-butoxyethanol 177.58
    propionic acid 389.25
    o-xylene 103.81
    formic acid 566.13
    diethyl ether 210.77
    m-xylene 106.01
    p-xylene 93.59
    chlorobenzene 170.4
    dimethyl carbonate 149.55
    n-octane 8.04
    formamide 521.13
    cyclopentanone 363.97
    2-pentanone 236.83
    anisole 168.38
    cyclopentyl methyl ether 219.64
    gamma-butyrolactone 388.57
    1-methoxy-2-propanol 637.91
    pyridine 324.21
    3-pentanone 183.8
    furfural 434.93
    n-dodecane 8.35
    diethylene glycol 413.5
    diisopropyl ether 49.3
    tert-amyl alcohol 324.32
    acetylacetone 235.51
    n-hexadecane 9.12
    acetophenone 142.26
    methyl propionate 291.49
    isopentyl acetate 68.66
    trichloroethylene 611.97
    n-nonanol 77.12
    cyclohexanol 259.94
    benzyl alcohol 185.5
    2-ethylhexanol 81.79
    isooctanol 72.6
    dipropyl ether 64.5
    1,2-dichlorobenzene 154.13
    ethyl lactate 98.15
    propylene carbonate 204.46
    n-methylformamide 696.82
    2-pentanol 236.31
    n-pentane 23.83
    1-propoxy-2-propanol 182.83
    1-methoxy-2-propyl acetate 116.92
    2-(2-methoxypropoxy) propanol 127.1
    mesitylene 58.62
    ε-caprolactone 235.54
    p-cymene 39.11
    epichlorohydrin 474.27
    1,1,1-trichloroethane 360.14
    2-aminoethanol 814.48
    morpholine-4-carbaldehyde 535.98
    sulfolane 363.02
    2,2,4-trimethylpentane 17.56
    2-methyltetrahydrofuran 313.21
    n-hexyl acetate 106.99
    isooctane 12.6
    2-(2-butoxyethoxy)ethanol 165.09
    sec-butyl acetate 60.11
    tert-butyl acetate 110.24
    decalin 16.53
    glycerin 716.45
    diglyme 288.62
    acrylic acid 375.94
    isopropyl myristate 40.19
    n-butyric acid 347.1
    acetyl acetate 142.93
    di(2-ethylhexyl) phthalate 53.77
    ethyl propionate 101.5
    nitromethane 658.99
    1,2-diethoxyethane 92.7
    benzonitrile 167.11
    trioctyl phosphate 38.5
    1-bromopropane 194.34
    gamma-valerolactone 492.67
    n-decanol 57.21
    triethyl phosphate 43.89
    4-methyl-2-pentanol 109.66
    propionitrile 298.04
    vinylene carbonate 238.57
    1,1,2-trichlorotrifluoroethane 450.47
    DMS 103.29
    cumene 50.31
    2-octanol 66.39
    2-hexanone 97.62
    octyl acetate 55.64
    limonene 52.82
    1,2-dimethoxyethane 367.59
    ethyl orthosilicate 43.37
    tributyl phosphate 40.65
    diacetone alcohol 209.81
    N,N-dimethylaniline 118.83
    acrylonitrile 413.27
    aniline 241.42
    1,3-propanediol 693.36
    bromobenzene 156.27
    dibromomethane 425.67
    1,1,2,2-tetrachloroethane 460.84
    2-methyl-cyclohexyl acetate 59.43
    tetrabutyl urea 57.43
    diisobutyl methanol 49.08
    2-phenylethanol 138.35
    styrene 75.95
    dioctyl adipate 54.27
    dimethyl sulfate 240.31
    ethyl butyrate 59.29
    methyl lactate 246.36
    butyl lactate 73.22
    diethyl carbonate 47.06
    propanediol butyl ether 173.28
    triethyl orthoformate 47.73
    p-tert-butyltoluene 41.06
    methyl 4-tert-butylbenzoate 118.16
    morpholine 544.08
    tert-butylamine 242.28
    n-dodecanol 44.34
    dimethoxymethane 451.17
    ethylene carbonate 171.28
    cyrene 146.78
    2-ethoxyethyl acetate 95.51
    2-ethylhexyl acetate 50.91
    1,2,4-trichlorobenzene 194.05
    4-methylpyridine 339.03
    dibutyl ether 52.93
    2,6-dimethyl-4-heptanol 49.08
    DEF 304.25
    dimethyl isosorbide 160.17
    tetrachloroethylene 326.39
    eugenol 131.71
    triacetin 94.85
    span 80 109.11
    1,4-butanediol 285.37
    1,1-dichloroethane 450.61
    2-methyl-1-pentanol 155.68
    methyl formate 506.47
    2-methyl-1-butanol 304.24
    n-decane 13.04
    butyronitrile 255.04
    3,7-dimethyl-1-octanol 77.23
    1-chlorooctane 49.13
    1-chlorotetradecane 21.53
    n-nonane 12.5
    undecane 10.12
    tert-butylcyclohexane 19.72
    cyclooctane 8.47
    cyclopentanol 335.77
    tetrahydropyran 291.74
    tert-amyl methyl ether 154.38
    2,5,8-trioxanonane 191.78
    1-hexene 64.66
    2-isopropoxyethanol 215.88
    2,2,2-trifluoroethanol 296.21
    methyl butyrate 129.55

    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