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Benzalkonium chloride solution - ≥50% (via Cl), 50% in H2O, high purity , CAS No.63449-41-2

    Grade & Purity:
  • ≥50%(via Cl)
  • 50% in H2O
In stock
Item Number
B433172
Grouped product items
SKU Size
Availability
Price Qty
B433172-500ml
500ml
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$76.90

Basic Description

Synonyms Benzyldimethyldecylammonium chloride | BENZYLDECYLDIMETHYLAMMONIUM CHLORIDE | benzyl-decyl-dimethylazanium;chloride | C8-18-Alkydimethylbenzyl ammonium chlorides | CCRIS 4586 | Roccal | Tret-O-lite XC 511 | Alkylbenzyldimethylammonium Chloride (50% in Wat
Specifications & Purity ≥50%(via Cl), 50% in H2O
Product Description

Benzalkonium chloride is a quaternary ammonium salt that can be used as a preservative, antiseptic, and disinfectant in ocular drug products.


Application

Benzalkonium chloride (BAC) can be used as: A cationic surfactant in chemical polymerization reactions. A phase-transfer catalyst for the quantitative determination of sulfide in the whole blood sample by extractive alkylation technique using GC-MS.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Alkyldimethylbenzylammonium halides
Intermediate Tree Nodes Not available
Direct Parent Alkyldimethylbenzylammonium chlorides
Alternative Parents Phenylmethylamines  Benzylamines  Aralkylamines  Tetraalkylammonium salts  Organopnictogen compounds  Organic chloride salts  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Alkyldimethylbenzylammonium chloride - Phenylmethylamine - Benzylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium chlorides. These are organic compounds consisting of a quaternary ammonium group substituted with a benzyl group, two methyl groups as well as an alkyl chain. These compounds also contain a chlorine ion and have the general structure R1[N+](CH3)(CH3)R2.[Cl-], where R1 = benzyl group and R2 = alkyl chain.
External Descriptors Not available

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALB Tchem Serum albumin (2651 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name benzyl-decyl-dimethylazanium;chloride
INCHI InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
InChIKey TTZLKXKJIMOHHG-UHFFFAOYSA-M
Smiles CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Isomeric SMILES CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
WGK Germany 2
Alternate CAS 8001-54-5
UN Number 3267
Packing Group I
Beilstein 4062599
Reaxy-Rn 3578562
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3578562&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number Certificate Type Date Item
I2407061 Certificate of Analysis Jul 06, 2024 B433172
I2407096 Certificate of Analysis Jul 06, 2024 B433172

Chemical and Physical Properties

Molecular Weight 311.900 g/mol
XLogP3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 11
Exact Mass 311.238 Da
Monoisotopic Mass 311.238 Da
Topological Polar Surface Area 0.000 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 216.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 2

Citations of This Product

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3. Yu Linrong, Zhang Qiliang, Zhou Liping, Wei Yanjun, Li Mengshuang, Wu Xianggen, Xin Meng.  (2023)  Ocular topical application of alpha-glucosyl hesperidin as an active pharmaceutical excipient: in vitro and in vivo experimental evaluation.  Drug Delivery and Translational Research,    (1-13). 
4. Ting Zhang, Yuwei Xue, Mingjun Xu, Ziqi Zhu, Qian Zhang, Junming Hong.  (2023)  Efficient degradation of benzalkonium chloride by FeMn-CA300 catalyst activated persulfate process: Surface hydroxyl potentiation mechanism and degradation pathway.  ENVIRONMENTAL POLLUTION,  333  (121986). 
5. Jiahui Yan, Yanan Wang, Jingwen Zhang, Xiaohu Liu, Liangmin Yu, Zhiyu He.  (2023)  Rapidly Blocking the Calcium Overload/ROS Production Feedback Loop to Alleviate Acute Kidney Injury via Microenvironment-Responsive BAPTA-AM/BAC Co-Delivery Nanosystem.  Small,  19  (17): (2206936). 
6. Kai Yang, Mo-Lian Chen, Dong Zhu.  (2023)  Exposure to benzalkonium chloride disinfectants promotes antibiotic resistance in sewage sludge microbiomes.  SCIENCE OF THE TOTAL ENVIRONMENT,  867  (161527). 
7. Lingyue Zhang, Chu Tang, Mingchun Li, Huijing Wang, Sijia Zhang, Jianchao Wang, Xinwei Dong, Ding Fang, Hao Bai, Yue Sun, Dongbei Yue.  (2023)  Identification of key surfactant in municipal solid waste leachate foaming and its influence mechanism.  WATER RESEARCH,  231  (119487). 
8. Hongsheng Liu, Kun Dai, Jinjun Deng, Li Zhao, Hailin Yu, Huili Zhang, Yanbin Tong, Lingmin Wu, Liqun Sun.  (2022)  Synthesis of antibacterial polyaluminium silicate sulfate /sepiolitenano composite coagulant for oilfield sewage treatment.  Journal of Cleaner Production,  379  (134385). 
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10. Han Qiao, Zhuo Xu, Mengchi Sun, Shuwen Fu, Fangxue Zhao, Danping Wang, Zhonggui He, Yinglei Zhai, Jin Sun.  (2022)  Rebamipide liposome as an effective ocular delivery system for the management of dry eye disease.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,  75  (103654). 
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12. Baohuan Wu, Jie Feng, Tian Zeng, Qian Guo, Zhiwei Zhang, Chen Ding, Baocheng Tian, Sixiang Sai.  (2022)  Flurbiprofen loaded thermosensitive nanohydrogel for ophthalmic anti-inflammatory therapy.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,  70  (103253). 
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15. Anlong Liu, Qi Wang, Zinan Zhao, Rui Wu, Maochun Wang, Jiawei Li, Kuoyang Sun, Ziying Sun, Zhongyang Lv, Jia Xu, Huiming Jiang, Mimi Wan, Dongquan Shi, Chun Mao.  (2021)  Nitric Oxide Nanomotor Driving Exosomes-Loaded Microneedles for Achilles Tendinopathy Healing.  ACS Nano,  15  (8): (13339–13350). 
16. Xue Yang, Li Xiaohua, Zhang Shixian, Guo Ruiwei.  (2021)  Direct Determination of Interchain Transfer Constants for Radical Polymerization of Benzyl Acrylate by RAFT Polymerization and Polymer Chromatography.  MACROMOLECULAR RESEARCH,  29  (7): (477-486). 
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19. Zhang Xiufeng, Xiong Wenguang, Peng Xianfeng, Lu Yixing, Hao Jie, Qin Zonghua, Zeng Zhenling.  (2021)  Isopropoxy Benzene Guanidine Kills Staphylococcus aureus Without Detectable Resistance.  Frontiers in Microbiology,  12  (92). 
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21. Xuexia Zhu, Zeshuang Wang, Yunfei Sun, Lei Gu, Lu Zhang, Jun Wang, Yuan Huang, Zhou Yang.  (2020)  Surfactants at environmentally relevant concentrations interfere the inducible defense of Scenedesmus obliquus and the implications for ecological risk assessment.  ENVIRONMENTAL POLLUTION,  261  (114131). 
22. Lin Liu, Hengchong Shi, Huan Yu, Rongtao Zhou, Jinghua Yin, Shifang Luan.  (2019)  One-step hydrophobization of tannic acid for antibacterial coating on catheters to prevent catheter-associated infections.  Biomaterials Science,  (12): (5035-5043). 
23. Bing-huang Wang, Qian Zhang, Jun-ming Hong, Ling Li.  (2018)  Highly effective iron–carbon–bentonite–alginate beads (Fe°/C-BABs) as catalyst to treat benzalkonium chloride in fixed-bed column systems.  PROCESS SAFETY AND ENVIRONMENTAL PROTECTION,  119  (75). 
24. Zhang Qian, Xia Yu-Feng, Hong Jun-Ming.  (2016)  Mechanism and toxicity research of benzalkonium chloride oxidation in aqueous solution by H2O2/Fe2+ process.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  23  (17): (17822-17830). 
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