Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C14H18N2O5
- Molecular weight
- 294.3 g/mol
- IUPAC name
- 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
- SMILES
- CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
- InChIKey
- WXCMHFPAUCOJIG-UHFFFAOYSA-N
- XLogP
- 3.7
- Polar surface area
- 109 Ų
- H-bond donors
- 0
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Research
174 papers- RIFM fragrance ingredient safety assessment, musk ketone, CAS registry number 81-14-1.Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association · 2024
- Musk xylene and musk ketone amino metabolites in the aquatic environment.Toxicology letters · 1999
- Musk ketone induces apoptosis of gastric cancer cells via downregulation of sorbin and SH3 domain containing 2.Molecular medicine reports · 2021
- Musk Ketone Induces Neural Stem Cell Proliferation and Differentiation in Cerebral Ischemia via Activation of the PI3K/Akt Signaling Pathway.Neuroscience · 2020
- Evaluation of health risks caused by musk ketone.International journal of hygiene and environmental health · 2001
via PubMed
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 294.122
Show 5 more facts
- chemical formula
- C₁₄H₁₈N₂O₅
- canonical SMILES
- CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
- subject has role
- antineoplastic
- found in taxon
- Moschus
- Commons category
- Musk ketone
Sources (2)
via Wikidata · CC0