Pyrrole

  • Identifiers

    CAS number
    109-97-7

    Molecular formula
    C4H5N

    SMILES
    C1=CNC=C1

    Retention indicies (RI)

    • DB5: 762.0

  • Odor profile

    sweet 83.71%
    burnt 66.8%
    nutty 63.92%
    ethereal 53.62%
    musty 53.59%
    tobacco 46.76%
    smoky 44.52%
    fishy 44.01%
    pungent 43.58%
    phenolic 41.68%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7 Well soluble in MMB, TEC, DEP

    Molecular weight
    67.09 g/mol

    Melting points

    • -23.4 °C
    • -24 °C

    Boiling points

    • 129.7 °C
    • 130.00 to 131.00 °C. @ 760.00 mm Hg

    Flash points

    • 102 °F (39 °C) (CLOSED CUP)

    Solubilities

    • Soluble in alcohol, ether and dilute acids. Also soluble in most organic chemicals.
    • Water solubility: 4.5X10+4 mg/l @ 25 °C
    • 45 mg/mL at 25 °C
    • Soluble in most fixed oils; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • PYRROLE
    • 1H-Pyrrole
    • 109-97-7
    • Divinylenimine
    • Imidole
    • Azole
    • Pyrrol
    • Monopyrrole
    • Divinyleneimine
    • 1-Aza-2,4-cyclopentadiene
    • 30604-81-0
    • FEMA No. 3386
    • Pyrrole-15N
    • NSC 62777
    • CCRIS 2933
    • HSDB 119
    • CHEBI:19203
    • EINECS 203-724-7
    • UNII-86S1ZD6L2C
    • NSC-62777
    • (1H-Pyrrole)x
    • PYROLLE
    • 86S1ZD6L2C
    • DTXSID5021910
    • AI3-18817
    • MFCD00005216
    • DTXCID201910
    • 26120-22-9
    • Pyrroles
    • C4H5N
    • Pyrrhol
    • Pyrole
    • beta-pyrrole
    • a pyrrole
    • pyrrole-
    • Pyrrole, Reagent
    • Polypyrrole (undoped, extent of labeling: ~20 wt. % loading, composite with carbon black)
    • 1-H-pyrrole
    • Pyrrole1539
    • 1-aza-cyclopentadiene
    • PYRROLE [FHFI]
    • PYRROLE [HSDB]
    • PYRROLE [FCC]
    • 1H-PYRROLE [MI]
    • Epitope ID:136031
    • WLN: T5MJ
    • Pyrrole, analytical standard
    • CHEMBL16225
    • Pyrrole, reagent grade, 98%
    • QSPL 001
    • CHEBI:35556
    • FEMA 3386
    • Pyrrole, >=98%, FCC, FG
    • NSC62777
    • NSC72470
    • STR00296
    • Tox21_303910
    • BBL011520
    • NSC-72470
    • STL146636
    • AKOS000120094
    • FP14738
    • NCGC00357161-01
    • BP-21154
    • CAS-109-97-7
    • 1H-Pyrrole; Azole; Divinylenimine; Imidole
    • DB-003771
    • NS00014390
    • P0574
    • EN300-20590
    • C19907
    • H27771
    • A802120
    • InChI=1/C4H5N/c1-2-4-5-3-1/h1-5
    • Q242627
    • F2190-0643
    • Z104479036
    • 107760-17-8
    • 203-724-7
1 4

Botanical

Name CAS Botanical Proportion
Tamarind 1 dried fruit Tamarindus indica L., fam. Leguminosae 0.5%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Truffle, white (Italy) Tuber magnatum Pico, fam. Ascomycetae 0.5%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.1%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.4%