2-Propionylpyrrole

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  • Identifiers

    CAS number
    1073-26-3

    Molecular formula
    C7H9NO

    SMILES
    CCC(=O)C1=CC=CN1

  • Odor profile

    Nutty 63.49%
    Roasted 62.26%
    Green 54.79%
    Popcorn 48.88%
    Caramellic 39.8%
    Hazelnut 37.56%
    Burnt 36.86%
    Earthy 33.52%
    Musty 32.83%
    Coffee 28.65%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    123.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point est.
    116.6 ˚C

    Solubility expt.

    • Slightly soluble in water; Insoluble in fats
    • Soluble (in ethanol)

  • Synonyms

    • 2-Propionylpyrrole
    • 1073-26-3
    • 1-(1H-Pyrrol-2-yl)propan-1-one
    • Ethyl 2-pyrrolyl ketone
    • 2-Pyrryl ethyl ketone
    • alpha-Propionylpyrrole
    • alpha-Pyrryl ethyl ketone
    • 1-(2-Pyrrolyl)-1-propanone
    • FEMA No. 3614
    • 2-Propanoylpyrrole
    • 1-Propanone, 1-pyrrol-2-yl-
    • 1-Propanone, 1-(1H-pyrrol-2-yl)-
    • 1-(1H-PYRROL-2-YL)-1-PROPANONE
    • UNII-HGS11XF57F
    • EINECS 214-026-7
    • HGS11XF57F
    • NSC 81353
    • BRN 0108936
    • Pyrrole, 2-propionyl
    • NSC-81353
    • 1H-Pyrrole, 2-propionyl
    • PROPIONYLPYRROLE, 2-
    • .ALPHA.-PROPIONYLPYRROLE
    • DTXSID30147997
    • 2-PROPIONYLPYRROLE [FHFI]
    • .ALPHA.-PYRRYL ETHYL KETONE
    • 4-21-00-03456 (Beilstein Handbook Reference)
    • 1-PROPANONE, 1-(2-PYRRYL)-
    • 2-Propionylpyrrol
    • MFCD01696449
    • 1-Propanone,1-(1H-pyrrol-2-yl)-
    • 1-Pyrrol-2-yl-1-Propanone
    • SCHEMBL261326
    • 2-Propionylpyrrole, AldrichCPR
    • DTXCID1070488
    • CHEBI:173334
    • NSC81353
    • 1-(1H-pyrrol-2-yl)-propan-1-one
    • AKOS009103715
    • SB62719
    • BS-22951
    • CS-0196488
    • NS00021492
    • Q27279924

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 713.81
    methanol 1534.39
    isopropanol 405.84
    water 50.5
    ethyl acetate 220.92
    n-propanol 434.07
    acetone 626.16
    n-butanol 344.77
    acetonitrile 464.1
    DMF 1075.26
    toluene 73.1
    isobutanol 329.63
    1,4-dioxane 497.28
    methyl acetate 269.29
    THF 570.39
    2-butanone 350.96
    n-pentanol 321.78
    sec-butanol 283.61
    n-hexane 26.56
    ethylene glycol 305.06
    NMP 804.16
    cyclohexane 13.54
    DMSO 1199.04
    n-butyl acetate 183.76
    n-octanol 156.29
    chloroform 720.99
    n-propyl acetate 235.36
    acetic acid 630.74
    dichloromethane 863.46
    cyclohexanone 413.67
    propylene glycol 265.08
    isopropyl acetate 145.91
    DMAc 623.39
    2-ethoxyethanol 584.48
    isopentanol 283.35
    n-heptane 13.37
    ethyl formate 288.07
    1,2-dichloroethane 430.89
    n-hexanol 189.73
    2-methoxyethanol 786.8
    isobutyl acetate 151.28
    tetrachloromethane 104.09
    n-pentyl acetate 172.67
    transcutol 965.05
    n-heptanol 127.57
    ethylbenzene 70.22
    MIBK 190.05
    2-propoxyethanol 377.99
    tert-butanol 349.34
    MTBE 220.31
    2-butoxyethanol 270.68
    propionic acid 352.6
    o-xylene 70.85
    formic acid 458.66
    diethyl ether 196.47
    m-xylene 70.19
    p-xylene 107.22
    chlorobenzene 210.35
    dimethyl carbonate 141.31
    n-octane 10.99
    formamide 512.17
    cyclopentanone 611.22
    2-pentanone 274.25
    anisole 198.35
    cyclopentyl methyl ether 211.5
    gamma-butyrolactone 685.17
    1-methoxy-2-propanol 451.2
    pyridine 350.0
    3-pentanone 194.89
    furfural 634.47
    n-dodecane 13.17
    diethylene glycol 399.62
    diisopropyl ether 63.12
    tert-amyl alcohol 273.15
    acetylacetone 317.95
    n-hexadecane 14.46
    acetophenone 209.3
    methyl propionate 213.3
    isopentyl acetate 161.83
    trichloroethylene 777.86
    n-nonanol 125.82
    cyclohexanol 179.23
    benzyl alcohol 214.77
    2-ethylhexanol 105.83
    isooctanol 115.94
    dipropyl ether 95.66
    1,2-dichlorobenzene 210.2
    ethyl lactate 145.56
    propylene carbonate 337.75
    n-methylformamide 615.37
    2-pentanol 191.64
    n-pentane 19.41
    1-propoxy-2-propanol 221.78
    1-methoxy-2-propyl acetate 165.54
    2-(2-methoxypropoxy) propanol 202.82
    mesitylene 52.22
    ε-caprolactone 356.15
    p-cymene 48.36
    epichlorohydrin 659.7
    1,1,1-trichloroethane 296.98
    2-aminoethanol 445.51
    morpholine-4-carbaldehyde 642.48
    sulfolane 866.23
    2,2,4-trimethylpentane 19.9
    2-methyltetrahydrofuran 362.39
    n-hexyl acetate 246.01
    isooctane 15.91
    2-(2-butoxyethoxy)ethanol 310.25
    sec-butyl acetate 139.32
    tert-butyl acetate 173.25
    decalin 19.38
    glycerin 359.01
    diglyme 535.62
    acrylic acid 384.27
    isopropyl myristate 83.86
    n-butyric acid 367.36
    acetyl acetate 150.15
    di(2-ethylhexyl) phthalate 96.48
    ethyl propionate 173.74
    nitromethane 880.88
    1,2-diethoxyethane 248.6
    benzonitrile 295.12
    trioctyl phosphate 75.2
    1-bromopropane 208.95
    gamma-valerolactone 701.49
    n-decanol 91.9
    triethyl phosphate 77.28
    4-methyl-2-pentanol 125.41
    propionitrile 307.19
    vinylene carbonate 337.01
    1,1,2-trichlorotrifluoroethane 434.66
    DMS 189.24
    cumene 65.84
    2-octanol 104.47
    2-hexanone 253.57
    octyl acetate 113.45
    limonene 63.22
    1,2-dimethoxyethane 634.66
    ethyl orthosilicate 75.59
    tributyl phosphate 93.7
    diacetone alcohol 238.03
    N,N-dimethylaniline 151.46
    acrylonitrile 458.95
    aniline 168.52
    1,3-propanediol 481.62
    bromobenzene 191.21
    dibromomethane 461.56
    1,1,2,2-tetrachloroethane 529.86
    2-methyl-cyclohexyl acetate 112.43
    tetrabutyl urea 122.18
    diisobutyl methanol 69.11
    2-phenylethanol 159.11
    styrene 96.66
    dioctyl adipate 114.1
    dimethyl sulfate 273.16
    ethyl butyrate 134.77
    methyl lactate 176.45
    butyl lactate 155.69
    diethyl carbonate 100.35
    propanediol butyl ether 319.38
    triethyl orthoformate 94.75
    p-tert-butyltoluene 45.45
    methyl 4-tert-butylbenzoate 176.23
    morpholine 494.23
    tert-butylamine 216.9
    n-dodecanol 70.35
    dimethoxymethane 433.16
    ethylene carbonate 259.9
    cyrene 217.66
    2-ethoxyethyl acetate 206.52
    2-ethylhexyl acetate 119.98
    1,2,4-trichlorobenzene 249.11
    4-methylpyridine 352.35
    dibutyl ether 134.75
    2,6-dimethyl-4-heptanol 69.11
    DEF 355.17
    dimethyl isosorbide 282.89
    tetrachloroethylene 397.0
    eugenol 212.31
    triacetin 197.53
    span 80 171.58
    1,4-butanediol 303.62
    1,1-dichloroethane 384.21
    2-methyl-1-pentanol 263.07
    methyl formate 504.05
    2-methyl-1-butanol 282.4
    n-decane 19.63
    butyronitrile 325.43
    3,7-dimethyl-1-octanol 125.18
    1-chlorooctane 85.01
    1-chlorotetradecane 36.07
    n-nonane 18.53
    undecane 15.63
    tert-butylcyclohexane 23.61
    cyclooctane 6.22
    cyclopentanol 267.36
    tetrahydropyran 278.77
    tert-amyl methyl ether 158.17
    2,5,8-trioxanonane 323.24
    1-hexene 107.45
    2-isopropoxyethanol 340.89
    2,2,2-trifluoroethanol 255.66
    methyl butyrate 268.77

    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