CAS 6004-24-6 Cetylpyridinium chloride - Analytical Products / Alfa Chemistry

CAT	APS6004246
CAS	6004-24-6
MDL Number	MFCD00149977
Synonyms	Pyridinium, 1-hexadecyl-, chloride, hydrate (1:1:1),Cetylpyridinium chloride, Pyridinium, 1-hexadecyl-, chloride, monohydrate (8CI,9CI), Cetylpyridinium chloride monohydrate, 1-hexadecylpyridinium chloride, N-Hexadecylpyridinium chloride monohydrate, N-Cetylpyridinium chloride monohydrate
IUPAC Name	1-hexadecylpyridin-1-ium;chloride;hydrate
Molecular Weight	358.00
Molecular Formula	C21H38N.Cl.H2O
Canonical SMILES	O.[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1
InChI	InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
InChI Key	NFCRBQADEGXVDL-UHFFFAOYSA-M
REAXYS Number	3578606

Description	United States Pharmacopeia (USP) Reference Standard
Accurate Mass	357.2798
API Family	Matrix - API Family See respective official monograph(s)
Format	Neat
MP	83-86 °C (lit.)
Shipping	Room Temperature
Size	500MG
Storage Conditions	2-8°C Fridge/Coldroom
Subcategory	European Pharmacopoeia (Ph. Eur.)
Type	Excipient

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Case Study

Cetylpyridinium Chloride Is Used for Investigating Reproductive Toxicity and Early Embryonic Developmental Arrest in Mice

Wu, Caiyun, et al. Ecotoxicology and Environmental Safety 302 (2025): 118608.

Cetylpyridinium chloride (CPC), a quaternary ammonium compound widely used for its antiseptic and antibacterial properties, has recently been investigated for its potential reproductive toxicity. In this study, CPC was applied at environmentally relevant concentrations to evaluate its impact on early embryonic development in mice. The results demonstrated a clear dose-dependent inhibition of development beyond the 2-cell stage, significantly reducing blastocyst formation in vitro.
Transcriptomic analysis revealed that CPC exposure led to 3,799 differentially expressed genes in 2-cell embryos, implicating disrupted transcriptional regulation during early development. Functional enrichment indicated strong associations with impaired mitochondrial activity, increased reactive oxygen species (ROS) generation, and altered gene transcription processes. Importantly, CPC was shown to interfere with the maternal-to-zygotic transition (MZT) by suppressing zygotic genome activation and inhibiting the degradation of maternal effect transcripts.
Biochemical assays confirmed mitochondrial dysfunction, characterized by reduced ATP levels, increased mitochondrial membrane potential, elevated ROS and DHE signals, and significant DNA damage. CPC also altered epigenetic regulation, with notable increases in histone marks H3K9me3 and acH3K27 and decreases in H3K27me3 and acH3K9, disrupting chromatin structure and transcriptional control.
These findings indicate that Cetylpyridinium chloride disrupts MZT and induces developmental arrest at sub-environmental exposure levels, providing compelling evidence of its reproductive toxicity in female mammals and raising concerns about its widespread use in consumer products.

Cetylpyridinium Chloride Is Used for Leveling Control in Through-Hole Copper Electroplating of Printed Circuit Boards

Jiang, Hong, et al. Materials Today Communications 44 (2025): 112121.

Cetylpyridinium chloride (CPC), a quaternary ammonium compound featuring a pyridinium moiety, has been effectively employed as a leveler in through-hole (TH) copper electroplating for high-density printed circuit boards (PCBs). This study compares the electrochemical performance of CPC with cetyltrimethyl ammonium chloride (CTAC), a traditional leveler, to evaluate the influence of functional group substitution on deposition behavior and leveling efficiency.
Electrochemical analyses reveal that CPC exhibits stronger inhibitory effects on copper deposition than CTAC. Electroplating experiments further confirm CPC's superior leveling performance, significantly enhancing throwing power and reducing surface roughness. Unlike CTAC, which displays strong antagonistic interactions with the accelerator (SPS), CPC maintains stable compatibility, improving copper layer uniformity.
Quantum chemical calculations and molecular dynamics simulations suggest that CPC's pyridinium ring enhances its adsorption on the copper surface. With a smaller HOMO-LUMO energy gap and more favorable electrostatic potential distribution, CPC demonstrates a higher adsorption affinity and stronger interaction with the cathode surface, impeding local deposition rates and promoting uniform plating.
These findings underscore cetylpyridinium chloride's potential as an advanced leveler in TH electroplating, offering a rational design strategy for future additive development by leveraging heterocyclic functionalities to tune interfacial behavior in metal electrodeposition systems.

Cetylpyridinium Chloride Is Used for the Preparation of CPC-Intercalated Montmorillonite as a Sustainable Binder in Toothpaste Formulations

Wang, Xin, et al. Materials Today Communications 43 (2025): 111815.

Cetylpyridinium chloride (CPC), a cationic surfactant, was employed for the preparation of CPC-intercalated sodium montmorillonite (CPC-MMT) via ion-exchange to develop an eco-friendly and multifunctional inorganic binder for toothpaste applications. This work aims to replace conventional sodium carboxymethyl cellulose (Na-CMC), which, despite its thickening properties, suffers from limited biodegradability, humidity sensitivity, and potential skin irritation.
CPC-MMT was synthesized by intercalating CPC at varying concentrations (0.5-3.5× the cation exchange capacity of Na-MMT), followed by thorough structural characterization using XRD, FT-IR, SSNMR, TG, BET, SEM, and XPS. Results confirmed successful intercalation of CPC into the MMT galleries, enhancing interlayer spacing and lipophilicity. These structural modifications significantly improved the thickening, moisturizing, and stability properties of CPC-MMT in aqueous environments.
Functional evaluation of CPC-MMT in toothpaste revealed its ability to reduce Na-CMC content by 60%, eliminate sodium pyrophosphate, and cut humectant usage (sorbitol and propylene glycol) by 75% and 60%, respectively-while maintaining required rheological and physicochemical performance metrics such as viscosity, shear thinning, thermal stability, and extrudability.
This study demonstrates that cetylpyridinium chloride is effectively used for the preparation of CPC-MMT, offering a cost-effective, high-performance, and environmentally sustainable alternative to traditional organic binders in personal care formulations.