• Identifiers

    CAS number
    6813-05-4

    Molecular formula
    C18H15ClN4O3

    SMILES
    CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=C)N2

    Retention indicies (RI)

    • DB5: 1400.0
  • Odor profile

    odorless 58.27%
    bitter 28.7%
    grape 28.32%
    fruity 26.66%
    cooked 23.81%
    burnt 23.57%
    savory 20.07%
    roasted 19.0%
    orangeflower 17.05%
    meaty 16.5%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4 Well soluble in BB, DEP, IPM

    Molecular weight
    370.8 g/mol

  • Synonyms

    • 6813-05-4
    • 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
    • DTXSID50409488
1 of 4
Name CAS Botanical Proportion
Eugenia nitida (Brazil) Eugenia nitida Camb., fam. Myrtaceae 2.0%
Mikania cordata leaf Mikania cordata (Burm.f.) B.L. Robinson var. cordata, fam. Asteraceae 1.4%
Pinus caribaea, var. hondurensis (Malaysia) Pinus caribaea Morelet var. hondurensis Barrett et Golfari, fam. Pinaceae 0.1%