Moskene

Synonyms: Moskene, "Musk moskene", "1,1,3,3,5-Pentamethyl-4,6-dinitroindane", "Musk moskine", "UNII-1Q49IC9FAW", "Musk moskene solution", "1,1,3,3,5-Pentamethyl-4,6-dinitroindan", "1,1,3,3,5-Pentamethyl-4,6-dinitrolindan", "BRN 2163411", "1Q49IC9FAW", "AI3-28025", "4,6-Dinitro-1,1,3,3,5-pentamethylindan", "4,6-Dinitro-1,1,3,3,5-pentamethylindane".

Source: Musk moskene is a soft, sweet fragrance resembling musk ambrette which introduces a very desirable creamy powder note for cosmetic fragrance.

Identifiers:

IUPAC Name: 1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
CAS Number: 116-66-5
PubChem ID: 67005
InChiKey: UHWURQRPEIFIAK-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₁₄H₁₈N₂O₄
Molecular Weight: 278.3

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 20

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2D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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2D-structure

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