2-Acetyl-1-furfurylpyrrole

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  • Identifiers

    CAS number
    13678-73-4

    Molecular formula
    C11H11NO2

    SMILES
    CC(=O)C1=CC=CN1CC2=CC=CO2

  • Odor profile

    Fragrance
    Roasted 55.4%
    Nutty 51.97%
    Caramellic 38.78%
    Burnt 38.19%
    Popcorn 33.49%
    Coffee 32.13%
    Meaty 31.08%
    Sweet 30.86%
    Floral 29.46%
    Hazelnut 28.76%

     

    Flavor
    Nutty 50.48%
    Roasted 42.67%
    Roast 39.82%
    Coffee 39.56%
    Popcorn 39.03%
    Earthy 35.32%
    Corn 32.92%
    Musty 31.51%
    Chocolate 31.12%
    Chip 30.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.39 (weak acid)

    Molecular weight
    189.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 135.48 ˚C est.

  • Synonyms

    • 2-Acetyl-1-furfurylpyrrole
    • 13678-73-4
    • 1-Furfuryl-2-acetylpyrrole
    • EJ443MI6K2
    • UNII-EJ443MI6K2
    • Ketone, 1-furfurylpyrrol-2-yl methyl
    • 1-[1-(FURAN-2-YLMETHYL)PYRROL-2-YL]ETHANONE
    • DTXSID201019787
    • Ethanone, 1-(1-(2-furanylmethyl)-1H-pyrrol-2-yl)-
    • Ethanone, 1-1-(2-furanylmethyl)-1H-pyrrol-2-yl-
    • 1-Furfuryl-2-acetyl-pyrrole
    • N-Furfuryl-2-acetylpyrrol
    • 2-acetyl-1-furfuryl pyrrole
    • SCHEMBL11332213
    • DTXCID601477680
    • NS00120284

  • Applications

    2-Acetyl-1-furfurylpyrrole (CAS 13678-73-4) is primarily used as an aroma-chemical component and fragrance intermediate. In perfumery, it contributes warm, roasted or caramel-like notes and serves as a building block for additional fragrance molecules. In flavor applications, it is evaluated as an aroma contributor where permitted by regulatory regimes. In cosmetics and personal care, it can function as a fragrance ingredient in products such as lotions, shampoos and sprays, within approved usage limits. In household products, it is used to impart specific scent profiles in cleaners and detergents. In industrial manufacturing, it may be utilized as an intermediate in fragrance synthesis and the production of specialty chemicals. In coatings and inks, it can be employed as a fragrance additive to impart a distinctive odor profile. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 270.15
    methanol 571.47
    isopropanol 158.19
    water 47.84
    ethyl acetate 107.17
    n-propanol 205.76
    acetone 211.64
    n-butanol 159.12
    acetonitrile 225.58
    DMF 574.05
    toluene 100.15
    isobutanol 163.26
    1,4-dioxane 375.39
    methyl acetate 143.06
    THF 342.01
    2-butanone 164.19
    n-pentanol 105.6
    sec-butanol 147.08
    n-hexane 3.43
    ethylene glycol 241.2
    NMP 355.72
    cyclohexane 13.76
    DMSO 466.98
    n-butyl acetate 44.28
    n-octanol 32.72
    chloroform 519.82
    n-propyl acetate 55.67
    acetic acid 352.96
    dichloromethane 595.73
    cyclohexanone 210.51
    propylene glycol 179.39
    isopropyl acetate 51.89
    DMAc 570.16
    2-ethoxyethanol 255.3
    isopentanol 123.42
    n-heptane 3.76
    ethyl formate 118.79
    1,2-dichloroethane 266.06
    n-hexanol 59.51
    2-methoxyethanol 470.98
    isobutyl acetate 43.57
    tetrachloromethane 38.29
    n-pentyl acetate 31.07
    transcutol 553.35
    n-heptanol 30.71
    ethylbenzene 36.58
    MIBK 66.03
    2-propoxyethanol 141.24
    tert-butanol 146.97
    MTBE 86.87
    2-butoxyethanol 78.93
    propionic acid 166.16
    o-xylene 61.32
    formic acid 470.44
    diethyl ether 107.35
    m-xylene 58.54
    p-xylene 55.89
    chlorobenzene 137.34
    dimethyl carbonate 90.13
    n-octane 1.76
    formamide 664.76
    cyclopentanone 233.1
    2-pentanone 96.09
    anisole 121.18
    cyclopentyl methyl ether 131.66
    gamma-butyrolactone 266.77
    1-methoxy-2-propanol 230.96
    pyridine 325.4
    3-pentanone 97.99
    furfural 344.85
    n-dodecane 2.43
    diethylene glycol 200.27
    diisopropyl ether 20.76
    tert-amyl alcohol 122.89
    acetylacetone 119.82
    n-hexadecane 2.81
    acetophenone 112.05
    methyl propionate 118.02
    isopentyl acetate 48.6
    trichloroethylene 519.51
    n-nonanol 32.57
    cyclohexanol 142.18
    benzyl alcohol 140.24
    2-ethylhexanol 33.95
    isooctanol 27.78
    dipropyl ether 33.76
    1,2-dichlorobenzene 108.49
    ethyl lactate 55.8
    propylene carbonate 135.23
    n-methylformamide 331.8
    2-pentanol 76.99
    n-pentane 4.87
    1-propoxy-2-propanol 75.25
    1-methoxy-2-propyl acetate 69.91
    2-(2-methoxypropoxy) propanol 102.89
    mesitylene 29.57
    ε-caprolactone 156.95
    p-cymene 21.79
    epichlorohydrin 359.44
    1,1,1-trichloroethane 141.38
    2-aminoethanol 311.53
    morpholine-4-carbaldehyde 363.9
    sulfolane 272.54
    2,2,4-trimethylpentane 5.49
    2-methyltetrahydrofuran 203.12
    n-hexyl acetate 50.92
    isooctane 2.86
    2-(2-butoxyethoxy)ethanol 137.43
    sec-butyl acetate 41.67
    tert-butyl acetate 53.02
    decalin 7.19
    glycerin 286.7
    diglyme 254.56
    acrylic acid 210.9
    isopropyl myristate 23.69
    n-butyric acid 155.65
    acetyl acetate 76.04
    di(2-ethylhexyl) phthalate 36.28
    ethyl propionate 55.94
    nitromethane 476.74
    1,2-diethoxyethane 97.29
    benzonitrile 126.04
    trioctyl phosphate 21.16
    1-bromopropane 101.65
    gamma-valerolactone 297.77
    n-decanol 24.83
    triethyl phosphate 36.92
    4-methyl-2-pentanol 44.43
    propionitrile 149.28
    vinylene carbonate 162.72
    1,1,2-trichlorotrifluoroethane 303.99
    DMS 72.68
    cumene 27.87
    2-octanol 20.67
    2-hexanone 64.92
    octyl acetate 30.47
    limonene 30.79
    1,2-dimethoxyethane 294.86
    ethyl orthosilicate 35.29
    tributyl phosphate 28.58
    diacetone alcohol 91.3
    N,N-dimethylaniline 84.37
    acrylonitrile 219.83
    aniline 183.43
    1,3-propanediol 271.36
    bromobenzene 119.33
    dibromomethane 262.86
    1,1,2,2-tetrachloroethane 349.31
    2-methyl-cyclohexyl acetate 48.31
    tetrabutyl urea 40.84
    diisobutyl methanol 21.79
    2-phenylethanol 71.4
    styrene 52.83
    dioctyl adipate 42.78
    dimethyl sulfate 135.35
    ethyl butyrate 43.72
    methyl lactate 95.59
    butyl lactate 39.82
    diethyl carbonate 42.0
    propanediol butyl ether 89.75
    triethyl orthoformate 42.48
    p-tert-butyltoluene 19.5
    methyl 4-tert-butylbenzoate 69.78
    morpholine 372.05
    tert-butylamine 81.88
    n-dodecanol 19.34
    dimethoxymethane 252.75
    ethylene carbonate 121.3
    cyrene 121.77
    2-ethoxyethyl acetate 62.13
    2-ethylhexyl acetate 38.94
    1,2,4-trichlorobenzene 141.27
    4-methylpyridine 247.49
    dibutyl ether 35.8
    2,6-dimethyl-4-heptanol 21.79
    DEF 156.08
    dimethyl isosorbide 128.46
    tetrachloroethylene 243.7
    eugenol 79.21
    triacetin 75.55
    span 80 66.58
    1,4-butanediol 127.69
    1,1-dichloroethane 214.86
    2-methyl-1-pentanol 93.29
    methyl formate 243.9
    2-methyl-1-butanol 128.39
    n-decane 3.59
    butyronitrile 130.98
    3,7-dimethyl-1-octanol 37.87
    1-chlorooctane 18.28
    1-chlorotetradecane 8.72
    n-nonane 2.91
    undecane 2.88
    tert-butylcyclohexane 5.89
    cyclooctane 3.77
    cyclopentanol 152.58
    tetrahydropyran 223.94
    tert-amyl methyl ether 69.31
    2,5,8-trioxanonane 188.49
    1-hexene 20.12
    2-isopropoxyethanol 135.81
    2,2,2-trifluoroethanol 164.19
    methyl butyrate 76.06

    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

Botanical

Name CAS Botanical Proportion
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.04%