1-(1,5-Dimethyl-1H-pyrrol-2-yl)ethanone

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  • Identifiers

    CAS number
    35250-69-2

    Molecular formula
    C8H11NO

    SMILES
    CC1=CC=C(N1C)C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 53.49%
    Roasted 50.4%
    Sweet 47.92%
    Earthy 44.29%
    Musty 39.99%
    Floral 37.97%
    Burnt 35.62%
    Popcorn 35.13%
    Powdery 34.63%
    Hazelnut 34.41%

     

    Flavor
    Nutty 54.64%
    Roasted 43.56%
    Popcorn 39.44%
    Earthy 38.84%
    Musty 36.56%
    Burnt 36.38%
    Roast 34.57%
    Hazelnut 34.52%
    Corn 33.04%
    Cocoa 30.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.09 (neutral)

    Molecular weight
    137.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 75.07 ˚C est.

  • Synonyms

    • 1-(1,5-Dimethyl-1H-pyrrol-2-yl)ethanone
    • 35250-69-2
    • SCHEMBL7706724
    • DTXSID901279801
    • 1-(1,5-Dimethyl-1H-pyrrol-2-yl)ethan-1-one
    • 35250-69-2

  • Applications

    1-(1,5-Dimethyl-1H-pyrrol-2-yl)ethanone (CAS 35250-69-2) is typically used as an organic synthesis intermediate and building block for pharmaceutical and agrochemical compounds; it may also serve as a fragrance ingredient or fragrance intermediate in perfumery and cosmetics due to its pyrrolic aroma profile; it can function as a dye or pigment precursor for specialty coatings and inks; it provides a structural motif for polymer and plastic synthesis, including specialty materials; and it is used as a research or development intermediate in medicinal chemistry libraries and material science applications, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1432.26
    methanol 2333.47
    isopropanol 1016.74
    water 609.97
    ethyl acetate 354.26
    n-propanol 1225.44
    acetone 582.91
    n-butanol 885.9
    acetonitrile 752.99
    DMF 1149.11
    toluene 277.47
    isobutanol 877.68
    1,4-dioxane 1055.16
    methyl acetate 436.61
    THF 854.58
    2-butanone 474.23
    n-pentanol 506.03
    sec-butanol 870.55
    n-hexane 65.72
    ethylene glycol 889.59
    NMP 646.2
    cyclohexane 75.96
    DMSO 863.87
    n-butyl acetate 129.78
    n-octanol 152.42
    chloroform 1732.54
    n-propyl acetate 122.06
    acetic acid 599.86
    dichloromethane 1668.57
    cyclohexanone 497.78
    propylene glycol 700.14
    isopropyl acetate 188.29
    DMAc 686.03
    2-ethoxyethanol 839.86
    isopentanol 542.05
    n-heptane 32.06
    ethyl formate 366.85
    1,2-dichloroethane 786.08
    n-hexanol 341.36
    2-methoxyethanol 1616.88
    isobutyl acetate 90.56
    tetrachloromethane 425.52
    n-pentyl acetate 125.51
    transcutol 581.98
    n-heptanol 158.09
    ethylbenzene 132.23
    MIBK 191.73
    2-propoxyethanol 587.2
    tert-butanol 781.59
    MTBE 444.73
    2-butoxyethanol 287.44
    propionic acid 527.45
    o-xylene 204.1
    formic acid 864.73
    diethyl ether 492.19
    m-xylene 187.18
    p-xylene 195.94
    chlorobenzene 349.89
    dimethyl carbonate 170.35
    n-octane 20.3
    formamide 996.77
    cyclopentanone 533.76
    2-pentanone 351.6
    anisole 296.09
    cyclopentyl methyl ether 405.56
    gamma-butyrolactone 592.77
    1-methoxy-2-propanol 895.06
    pyridine 615.28
    3-pentanone 289.42
    furfural 676.77
    n-dodecane 17.58
    diethylene glycol 626.72
    diisopropyl ether 113.66
    tert-amyl alcohol 624.19
    acetylacetone 316.76
    n-hexadecane 19.56
    acetophenone 212.13
    methyl propionate 340.09
    isopentyl acetate 129.6
    trichloroethylene 1119.93
    n-nonanol 128.11
    cyclohexanol 537.81
    benzyl alcohol 322.88
    2-ethylhexanol 140.22
    isooctanol 118.52
    dipropyl ether 126.06
    1,2-dichlorobenzene 303.64
    ethyl lactate 125.12
    propylene carbonate 300.79
    n-methylformamide 906.44
    2-pentanol 489.57
    n-pentane 83.2
    1-propoxy-2-propanol 274.46
    1-methoxy-2-propyl acetate 171.02
    2-(2-methoxypropoxy) propanol 175.47
    mesitylene 113.92
    ε-caprolactone 391.64
    p-cymene 74.01
    epichlorohydrin 913.0
    1,1,1-trichloroethane 701.66
    2-aminoethanol 1181.99
    morpholine-4-carbaldehyde 761.68
    sulfolane 636.43
    2,2,4-trimethylpentane 43.51
    2-methyltetrahydrofuran 635.0
    n-hexyl acetate 185.72
    isooctane 26.83
    2-(2-butoxyethoxy)ethanol 249.52
    sec-butyl acetate 98.39
    tert-butyl acetate 188.45
    decalin 45.73
    glycerin 828.08
    diglyme 487.04
    acrylic acid 466.72
    isopropyl myristate 70.42
    n-butyric acid 489.01
    acetyl acetate 181.8
    di(2-ethylhexyl) phthalate 83.81
    ethyl propionate 150.5
    nitromethane 840.18
    1,2-diethoxyethane 197.44
    benzonitrile 312.15
    trioctyl phosphate 58.77
    1-bromopropane 509.69
    gamma-valerolactone 778.65
    n-decanol 93.43
    triethyl phosphate 79.07
    4-methyl-2-pentanol 201.14
    propionitrile 554.29
    vinylene carbonate 322.59
    1,1,2-trichlorotrifluoroethane 625.41
    DMS 155.73
    cumene 107.73
    2-octanol 117.31
    2-hexanone 176.64
    octyl acetate 94.78
    limonene 100.42
    1,2-dimethoxyethane 781.54
    ethyl orthosilicate 79.66
    tributyl phosphate 66.79
    diacetone alcohol 285.32
    N,N-dimethylaniline 213.25
    acrylonitrile 663.74
    aniline 444.86
    1,3-propanediol 1144.08
    bromobenzene 325.3
    dibromomethane 1039.82
    1,1,2,2-tetrachloroethane 886.48
    2-methyl-cyclohexyl acetate 104.71
    tetrabutyl urea 87.58
    diisobutyl methanol 78.21
    2-phenylethanol 226.88
    styrene 154.24
    dioctyl adipate 91.89
    dimethyl sulfate 277.8
    ethyl butyrate 107.37
    methyl lactate 245.18
    butyl lactate 113.87
    diethyl carbonate 84.91
    propanediol butyl ether 218.66
    triethyl orthoformate 89.29
    p-tert-butyltoluene 77.12
    methyl 4-tert-butylbenzoate 177.1
    morpholine 1091.75
    tert-butylamine 483.24
    n-dodecanol 71.58
    dimethoxymethane 684.74
    ethylene carbonate 260.75
    cyrene 210.18
    2-ethoxyethyl acetate 170.95
    2-ethylhexyl acetate 102.16
    1,2,4-trichlorobenzene 345.0
    4-methylpyridine 581.58
    dibutyl ether 118.53
    2,6-dimethyl-4-heptanol 78.21
    DEF 394.14
    dimethyl isosorbide 268.81
    tetrachloroethylene 707.36
    eugenol 201.85
    triacetin 136.31
    span 80 149.85
    1,4-butanediol 514.28
    1,1-dichloroethane 865.31
    2-methyl-1-pentanol 348.49
    methyl formate 606.04
    2-methyl-1-butanol 646.82
    n-decane 27.58
    butyronitrile 494.58
    3,7-dimethyl-1-octanol 129.69
    1-chlorooctane 102.89
    1-chlorotetradecane 42.43
    n-nonane 26.95
    undecane 21.48
    tert-butylcyclohexane 47.94
    cyclooctane 28.02
    cyclopentanol 668.42
    tetrahydropyran 665.3
    tert-amyl methyl ether 319.23
    2,5,8-trioxanonane 295.97
    1-hexene 185.0
    2-isopropoxyethanol 404.86
    2,2,2-trifluoroethanol 384.05
    methyl butyrate 196.18

    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