n-Pentylpyrrole

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  • Identifiers

    CAS number
    699-22-9

    Molecular formula
    C9H15N

    SMILES
    CCCCCN1C=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Green 55.59%
    Earthy 49.81%
    Sweet 40.91%
    Musty 37.28%
    Fishy 37.13%
    Animal 36.2%
    Fatty 36.15%
    Roasted 35.27%
    Nutty 34.02%
    Herbal 31.51%

     

    Flavor
    Green 57.91%
    Fatty 45.12%
    Herbal 43.47%
    Fruity 33.28%
    Floral 30.82%
    Earthy 29.64%
    Pepper 29.06%
    Waxy 27.78%
    Citrus 27.69%
    Fat 27.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.06 (neutral)

    Molecular weight
    137.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 74.24 ˚C est.

  • Synonyms

    • 1H-Pyrrole, 1-pentyl-
    • N-pentylpyrrole
    • 1-pentylpyrrole
    • N-Amylpyrrole
    • Pyrrole, 1-pentyl-
    • I34JNN5ICH
    • UNII-I34JNN5ICH
    • DTXSID40339588
    • RefChem:202206
    • DTXCID80290669
    • VODBTJROPIJKCF-UHFFFAOYSA-N
    • 1-Amylpyrrole
    • 699-22-9
    • 1-Pentyl-1H-pyrrole
    • N-n-pentylpyrrole
    • 1-Pentyl-1H-pyrrole #
    • SCHEMBL250676
    • SCHEMBL2972482
    • SCHEMBL5542676
    • SCHEMBL5616893
    • AKOS008965045
    • 699-22-9

  • Applications

    n-Pentylpyrrole is a pyrrole derivative primarily used as an intermediate in the synthesis of heterocyclic compounds and other pyrrole derivatives, with potential applications in pharmaceuticals and agrochemicals. It also serves as a building block for pyrrole-containing polymers and conducting polymers used in electronics, coatings, and inks. Additionally, pyrrole derivatives can be evaluated as fragrance ingredients or odorants in perfumery. In research and development, n-Pentylpyrrole is commonly employed to prepare new pyrrole derivatives and related monomers for advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3457.54
    methanol 3434.0
    isopropanol 2122.2
    water 1.27
    ethyl acetate 2299.58
    n-propanol 2464.75
    acetone 2272.61
    n-butanol 2729.24
    acetonitrile 1733.49
    DMF 1331.6
    toluene 1324.02
    isobutanol 1750.06
    1,4-dioxane 3337.3
    methyl acetate 1429.56
    THF 3784.09
    2-butanone 1649.6
    n-pentanol 1823.25
    sec-butanol 1796.55
    n-hexane 941.45
    ethylene glycol 499.7
    NMP 938.46
    cyclohexane 1575.42
    DMSO 2173.93
    n-butyl acetate 2793.95
    n-octanol 585.84
    chloroform 6072.23
    n-propyl acetate 1185.57
    acetic acid 1982.83
    dichloromethane 5137.35
    cyclohexanone 2277.47
    propylene glycol 697.61
    isopropyl acetate 1172.88
    DMAc 906.2
    2-ethoxyethanol 1480.26
    isopentanol 2042.24
    n-heptane 879.44
    ethyl formate 1204.89
    1,2-dichloroethane 3021.98
    n-hexanol 2977.18
    2-methoxyethanol 2563.57
    isobutyl acetate 768.01
    tetrachloromethane 1362.01
    n-pentyl acetate 781.81
    transcutol 3669.12
    n-heptanol 690.06
    ethylbenzene 503.47
    MIBK 855.66
    2-propoxyethanol 2482.36
    tert-butanol 2080.25
    MTBE 2141.67
    2-butoxyethanol 936.88
    propionic acid 1230.23
    o-xylene 557.63
    formic acid 515.69
    diethyl ether 3438.68
    m-xylene 664.47
    p-xylene 594.8
    chlorobenzene 1461.84
    dimethyl carbonate 370.47
    n-octane 183.39
    formamide 546.94
    cyclopentanone 1830.89
    2-pentanone 1633.39
    anisole 798.08
    cyclopentyl methyl ether 2056.68
    gamma-butyrolactone 1750.7
    1-methoxy-2-propanol 1574.47
    pyridine 2650.49
    3-pentanone 1130.42
    furfural 1555.23
    n-dodecane 106.97
    diethylene glycol 1404.95
    diisopropyl ether 809.94
    tert-amyl alcohol 1523.72
    acetylacetone 1213.85
    n-hexadecane 118.91
    acetophenone 584.55
    methyl propionate 1207.36
    isopentyl acetate 1731.37
    trichloroethylene 4492.31
    n-nonanol 491.53
    cyclohexanol 1856.42
    benzyl alcohol 732.0
    2-ethylhexanol 1569.34
    isooctanol 485.6
    dipropyl ether 2488.06
    1,2-dichlorobenzene 1039.77
    ethyl lactate 363.17
    propylene carbonate 1218.97
    n-methylformamide 854.6
    2-pentanol 1640.36
    n-pentane 1000.85
    1-propoxy-2-propanol 1891.38
    1-methoxy-2-propyl acetate 1283.54
    2-(2-methoxypropoxy) propanol 584.37
    mesitylene 393.06
    ε-caprolactone 1725.8
    p-cymene 436.25
    epichlorohydrin 2331.07
    1,1,1-trichloroethane 2820.34
    2-aminoethanol 1083.54
    morpholine-4-carbaldehyde 1317.08
    sulfolane 1550.02
    2,2,4-trimethylpentane 264.05
    2-methyltetrahydrofuran 3023.57
    n-hexyl acetate 931.65
    isooctane 207.35
    2-(2-butoxyethoxy)ethanol 972.67
    sec-butyl acetate 703.92
    tert-butyl acetate 944.47
    decalin 338.75
    glycerin 723.96
    diglyme 1863.6
    acrylic acid 950.29
    isopropyl myristate 346.34
    n-butyric acid 2512.05
    acetyl acetate 1048.65
    di(2-ethylhexyl) phthalate 278.98
    ethyl propionate 836.24
    nitromethane 1798.02
    1,2-diethoxyethane 2305.72
    benzonitrile 1056.44
    trioctyl phosphate 212.71
    1-bromopropane 2849.5
    gamma-valerolactone 1951.82
    n-decanol 362.41
    triethyl phosphate 359.14
    4-methyl-2-pentanol 710.72
    propionitrile 1704.4
    vinylene carbonate 1036.14
    1,1,2-trichlorotrifluoroethane 1647.1
    DMS 531.29
    cumene 310.41
    2-octanol 398.11
    2-hexanone 1148.71
    octyl acetate 422.64
    limonene 903.9
    1,2-dimethoxyethane 2412.66
    ethyl orthosilicate 423.99
    tributyl phosphate 294.8
    diacetone alcohol 753.12
    N,N-dimethylaniline 462.19
    acrylonitrile 1433.8
    aniline 1406.13
    1,3-propanediol 1493.42
    bromobenzene 1602.7
    dibromomethane 4085.38
    1,1,2,2-tetrachloroethane 3391.49
    2-methyl-cyclohexyl acetate 695.87
    tetrabutyl urea 368.95
    diisobutyl methanol 661.73
    2-phenylethanol 967.83
    styrene 749.17
    dioctyl adipate 418.31
    dimethyl sulfate 392.94
    ethyl butyrate 1431.28
    methyl lactate 418.96
    butyl lactate 477.27
    diethyl carbonate 712.24
    propanediol butyl ether 610.66
    triethyl orthoformate 877.68
    p-tert-butyltoluene 396.87
    methyl 4-tert-butylbenzoate 397.34
    morpholine 3736.44
    tert-butylamine 1896.7
    n-dodecanol 285.78
    dimethoxymethane 1443.16
    ethylene carbonate 1043.84
    cyrene 390.42
    2-ethoxyethyl acetate 917.72
    2-ethylhexyl acetate 1364.03
    1,2,4-trichlorobenzene 1061.84
    4-methylpyridine 2196.76
    dibutyl ether 1280.88
    2,6-dimethyl-4-heptanol 661.73
    DEF 1497.67
    dimethyl isosorbide 846.06
    tetrachloroethylene 2781.19
    eugenol 398.62
    triacetin 567.43
    span 80 630.97
    1,4-butanediol 607.51
    1,1-dichloroethane 3125.44
    2-methyl-1-pentanol 1292.81
    methyl formate 646.83
    2-methyl-1-butanol 1792.82
    n-decane 188.67
    butyronitrile 2347.06
    3,7-dimethyl-1-octanol 622.27
    1-chlorooctane 527.84
    1-chlorotetradecane 202.12
    n-nonane 214.31
    undecane 134.0
    tert-butylcyclohexane 283.24
    cyclooctane 410.37
    cyclopentanol 1502.34
    tetrahydropyran 4259.76
    tert-amyl methyl ether 1254.05
    2,5,8-trioxanonane 1052.88
    1-hexene 2044.1
    2-isopropoxyethanol 975.25
    2,2,2-trifluoroethanol 434.56
    methyl butyrate 1227.22

    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