Dodecyl Dimethyl Benzyl Ammonium Chloride (Benzalkonium Chloride) (DDBAC/BKC/1227) (CAS 8001-54-5)
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Dodecyl Dimethyl Benzyl Ammonium Chloride (Benzalkonium Chloride) (DDBAC/BKC/1227). CAS 8001-54-5.
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Section 9 — physicochemical properties: 4 of 22 established.
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Data transcribed from regulatory registers and technical literature, with the source and edition stated. It does not replace the supplier's safety data sheet. Fields without a recorded source are marked as such.
Chemical Overview: Benzalkonium Chloride
| Molecular formula | C22H40ClN[1] |
| Molecular weight | 354 g/mol[1] |
| IUPAC name | benzyl-dimethyl-tridecylazanium chloride[1] |
| SMILES | CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-][1] |
| InChIKey | XIWFQDBQMCDYJT-UHFFFAOYSA-M[1] |
Synonyms: pentonium · Alpagelle · Zephiran · Benzalkonii chloridum · Cloruro de benzalconio
Data sources: PubChem (NLM/NIH)
Last updated: 2026-09-02
📚 Scientific references (Chicago Author-Date) (1 sources)
- PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecular formula · Molecular weight · IUPAC name · SMILES · InChIKey
SCIENTIFIC RESEARCH
📚 Scientific references (Chicago Author-Date) 17 refs · 3 baz
MOLECULE Per-CAS bibliography (live from 13+ databases)
Sources: db:Europe PMC (13) · db:doaj (3) · db:openalex (4)
- db:Europe PMC et al.. (2026). "Clinical Microbial Contamination of Multidose Brimonidine: A Prospective Comparison of Benzalkonium Chloride and Purite® Preservatives.". https://doi.org/10.1155/joph/2867565 →
- db:Europe PMC et al.. (2026). "Consequences of benzalkonium chloride tolerance for selection dynamics and de novo resistance evolution driven by antibiotics.". https://doi.org/10.1038/s44259-025-00170-8 →
- db:Europe PMC et al.. (2026). "A Comprehensive Review of the Clinical Evidence Comparing Benzalkonium Chloride-Preserved and Benzalkonium Chloride-Free Latanoprost in the Treatment of Primary Open-Angle Glaucoma and Ocular Hypertension.". https://doi.org/10.2147/opth.s595069 →
- db:Europe PMC et al.. (2026). "Exploiting Greener Formulations of Benzalkonium Chloride with Enhanced Antibacterial Properties.". https://doi.org/10.1021/acsomega.5c10270 →
- db:Europe PMC et al.. (2026). "Benzalkonium Chloride-Induced Nephrotoxicity in 2D Cultures and a Human Kidney-on-a-Chip System.". https://doi.org/10.1021/acs.est.5c15625 →
- db:Europe PMC et al.. (2026). "Stability and Compressibility of Tear Film Lipid Layer: Impact of Benzalkonium Chloride Presence #". https://doi.org/10.64898/2026.06.13.731656 →
- db:doaj Meizhen Fang, Meizhen Fang, Jingqiu Zhang et al.. (2026). "Granular parakeratosis associated with the use of laundry sanitizers containing benzalkonium chloride: a case report". Frontiers in Allergy. https://doi.org/10.3389/falgy.2026.1906480 →
- db:Europe PMC et al.. (2026). "Integrating network toxicology, molecular simulation and experimental validation to decipher the role of CXCR4 in benzalkonium chloride-induced parakeratosis.". https://doi.org/10.1016/j.cbi.2026.112184 →
- db:Europe PMC et al.. (2026). "Plant Volatile Nanoemulsion Resensitize Pseudomonas aeruginosa to Benzalkonium Chloride.". https://doi.org/10.1007/s00284-026-05027-5 →
- db:Europe PMC et al.. (2026). "Study of the toxic effect of benzalkonium chloride on epithelial cells of the lacrimal canaliculi.". https://doi.org/10.1080/01676830.2026.2693228 →
- db:Europe PMC (2026). "Beyond Acute Cytotoxicity: A Repair-Exhaustion Framework for Chronic Sublethal Benzalkonium Chloride Toxicity in Repeated Ophthalmic Exposure.". https://doi.org/10.1177/10807683261466785 →
- db:Europe PMC et al.. (2025). "Effects of Benzalkonium Chloride, a Preservative in Topical Drugs, on the Barrier Function of Human Corneal Epithelial Cells.". https://doi.org/10.1167/tvst.14.11.16 →
- db:Europe PMC et al.. (2025). "Benzalkonium Chloride-Coated Iron Oxide Nanoparticles: Cytotoxic Potential on Murine Leydig Cells (TM3).". https://doi.org/10.1021/acsomega.5c09618 →
- db:Europe PMC et al.. (2025). "Eco-Friendly Spectrophotometric Methods for Resolving the Spectral Inference of Benzalkonium Chloride During Alcaftadine and Ketorolac Tromethamine Quantification.". https://doi.org/10.1002/ansa.70028 →
- db:openalex Elena Yu. Kozhunova, Galina A. Komarova, O. V. Vyshivannaya et al.. (2022). "Antiseptic Materials on the Base of Polymer Interpenetrating Networks Microgels and Benzalkonium Chloride". International Journal of Molecular Sciences. https://doi.org/10.3390/ijms23084394 →
- db:openalex Hye-Yeon Choi, Yong-Hoon Lee, Cheol‐Hong Lim et al.. (2020). "Assessment of respiratory and systemic toxicity of Benzalkonium chloride following a 14-day inhalation study in rats". Particle and Fibre Toxicology. https://doi.org/10.1186/s12989-020-0339-8 →
- db:openalex Do-Young Kwon, Jung‐Taek Kwon, Yeon‐Mi Lim et al.. (2019). "Inhalation toxicity of benzalkonium chloride and triethylene glycol mixture in rats". Toxicology and Applied Pharmacology. https://doi.org/10.1016/j.taap.2019.114609 →
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Dodecyl Dimethyl Benzyl Ammonium Chloride (Benzalkonium Chloride) (DDBAC/BKC/1227) — CAS 8001-54-5. Listed by Shandong Yuanlian. Prepared from the supplier’s public catalogue; not verified against their internal data.