Benzethonium Chloride is a widely used quaternary ammonium compound with antimicrobial properties. It serves as a preservative in cosmetics and personal care products, helping to prevent microbial contamination and extend product shelf life. Due to its efficacy, it is commonly incorporated into lotions, creams, and antiseptics, ensuring product stability and user safety.
CAS Number: 121-54-0
Molecular Formula: C27H42NO2.Cl
Synonyms:
- Hyamine
- Phemeride
- Salanine
- Phemersol chloride
- Benzetonium chloride
+ 26 more…
- Phemerol chloride
- Benzethoniumchloride
- Quatrachlor
- Disilyn
- Kylacol
- Phemithyn
- Hyamine 1622
- p-tert-Octylphenoxyethoxyethyldimethylbenzylammonium chloride
- DTXSID6023810
- UNII-PH41D05744
- CHEBI:31264
- NCI-C61494
- Diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chloride
- MFCD00011742
- EPA Pesticide Chemical Code
- PH41D05744
- benzyl-dimethyl
- Benzenemethanaminium
- N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride
- DTXCID203810
- Benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chloride
- Chlorure de benzethonium
- Chloride, Bencetonium
- Benzethonium chloride liquid
- Benzenemethanaminium
- Benzyldimethyl
Properties of Benzethonium Chloride
Chemical Identifiers
| EC Number | 204-479-9 |
| UNII | PH41D05744 |
| InChIKey | UREZNYTWGJKWBI-UHFFFAOYSA-M |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCN+(C)CC2=CC=CC=C2.[Cl-] |
| IUPAC Name | benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride |
| InChI | InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1 |
Physical and Chemical Properties
Benzethonium Chloride is a quaternary ammonium salt that appears as white, odorless crystals or powder. It dissolves readily in water, producing a slightly alkaline solution. Its antimicrobial activity makes it a key ingredient in disinfectants, antiseptics, and cosmetics.
| Property | Value |
| pH | 4.8 to 5.5 (1% aqueous solution) |
| LogP | 4.0 |
| Odor | Mild odor |
| Taste | Very bitter taste |
| Color/Form | Colorless crystals |
| Solubility | 10 to 50 mg/mL at 64°F |
| Decomposition | Emits toxic fumes of hydrogen chloride and nitrogen oxides upon decomposition. |
| Melting Point | 327 to 331°F |
| Refractive Index | 1.5101 @ 25°C |
| Collision Cross Section | 210.3 Ų [M+H]+ [CCS Type: TW] |
| Other Experimental Properties | Splinters slightly at 120°C |
Structural Properties
Benzethonium chloride is a moderately complex compound with a fairly large structure. It doesn’t carry any electric charge and has no hydrogen atoms that can form strong bonds with water, although it can attract water through a few accepting sites. Its structure is flexible with several movable parts, but it lacks features like 3D shape centers. Overall, it’s a stable molecule with some ability to interact with polar environments, yet remains mostly non-polar in character.
| Property | Value |
| Complexity | 466 |
| Exact Mass | 447.2904073 g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Molecular Weight | 448.1 g/mol |
| Monoisotopic Mass | 447.2904073 g/mol |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 12 |
| Compound Is Canonicalized | Yes |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Topological Polar Surface Area | 18.5 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Uses of Benzethonium Chloride in Cosmetics
Functional role in cosmetics:
- Benzethonium Chloride is used as a preservative agent in cosmetics.
Other uses:
- Acts as an active ingredient for its germicidal properties.
- Used to treat minor skin irritations, rashes, or infections.
Cosmetic Products Containing Benzethonium Chloride
Recent products using Benzethonium Chloride in their cosmetic formulations
- DYPER Bamboo Baby Wipes
- T.n. Dickinson’s Witch Hazel Cleansing Cloths, Aloe
- Arm & Hammer, Odor Control Foot Powder
- Equate Maximum Strength Medicated Foot Powder
- Perfect Purity Talc Free Odor Control Foot Powder
- Rexall Medicated Foot Powder
- Gold Bond Maximum Strength Menthol 1% Foot Powder
Top companies using Benzethonium Chloride in their cosmetic products
- DYPER
- T.n. Dickinson
- Arm & Hammer
- Perfect Purity
- Rexall
How Benzethonium Chloride Works in Formulations
Benzethonium Chloride is a cationic surfactant commonly used in cosmetics for its antimicrobial, preservative, and emulsifying properties. It helps to improve the stability and safety of products, especially in cleansers and antiseptic formulations.
Ideal Concentration and Benefits in Different Formulations
Antimicrobial and Preservative
Benzethonium Chloride is primarily used in cosmetics for its antimicrobial and preservative qualities. It is commonly found in skin care products, hand sanitizers, deodorants, and some hair care products. It is particularly effective in products that require long-lasting antimicrobial action, such as disinfectants and sanitizing lotions.
- Concentration: 0.1%–1%
- Benefit: It helps prevent the growth of bacteria, fungi, and other microorganisms, extending the shelf life of products.
Emulsifying Agent
In addition to its antimicrobial properties, Benzethonium Chloride functions as an emulsifier, helping to blend oil and water in formulations. It is useful in products like creams, lotions, and conditioners, where it helps stabilize the formulation and improves texture and application.
- Concentration: 0.05%–0.2%
- Benefit: Improves emulsion stability and gives a smoother, more uniform texture
Solubility
Benzethonium Chloride is soluble in both water and alcohol, making it versatile for use in a wide range of formulations, from aqueous-based products like cleansers to alcohol-based products like hand sanitizers.
- Concentration: 0.1%–0.5%
- Benefit: Fits equally well in cleansers, hand sanitizers, toners, and alcohol-based sprays
Compatibility with Other Ingredients
Benzethonium Chloride is generally compatible with other surfactants and preservatives, but care should be taken when combining it with other cationic ingredients, as they may interfere with its effectiveness. It works well with other preservatives like phenoxyethanol and ethylhexylglycerin, enhancing the overall preservation of the formulation.
Stability and Shelf Life
Benzethonium Chloride is stable in most formulations and provides a long shelf life to products when used as a preservative.
- Shelf life: 2 years or more when stored properly
- Best storage: In airtight containers, away from light and moisture, and formulations should maintain a pH between 4 and 8 for optimal preservation.
Formulation Challenges and Troubleshooting
While Benzethonium Chloride is an effective antimicrobial and emulsifying agent, it can present certain formulation challenges that require careful management:
Irritation and Sensitivity
Benzethonium Chloride can cause skin irritation, especially in leave-on products like lotions or deodorants, if used at high concentrations.
Solution: Use Benzethonium Chloride at concentrations of 0.1%–0.5% for leave-on products. Perform patch testing for sensitive skin formulations and avoid using in high concentrations in products for sensitive skin.
Incompatibility with Other Cationic Ingredients
Benzethonium Chloride may not be compatible with other cationic surfactants or preservatives, which can affect the stability and performance of the formulation.
Solution: When formulating with other cationic ingredients, such as certain emulsifiers or surfactants, ensure they are compatible with Benzethonium Chloride by conducting compatibility tests before scaling up production.
Overuse and Residue
Excessive use of Benzethonium Chloride can leave a sticky residue on the skin, especially in rinse-off products like cleansers or body washes.
Solution: Ensure that the concentration of Benzethonium Chloride is kept low (0.1%–0.5%) to avoid residue buildup. Pair with other surfactants or emulsifiers to improve product rinsability and skin feel.
Formulation Instability
At higher concentrations, Benzethonium Chloride can destabilize certain formulations, especially those containing incompatible ingredients.
Solution: Use Benzethonium Chloride within recommended concentration ranges and ensure proper formulation testing to avoid instability. Incorporate stabilizing agents where necessary.
Odor Issues
Benzethonium Chloride may contribute to an undesirable odor in formulations, particularly in products like deodorants and sanitizers.
Solution: Mask or neutralize odors with fragrances or essential oils, and ensure that the pH of the product is balanced to minimize odor issues.
Is Benzethonium Chloride Safe in Cosmetics?
Safety reports for Benzethonium Chloride are given below:
- Annual Review of Cosmetic Ingredient Safety Assessments—2004/2005. Download PDF
- Final Report on the Safety Assessment of Benzethonium Chloride and Methylbenzethonium Chloride. Download PDF
Regulatory Considerations for Using Benzethonium Chloride in Cosmetic Formulations
Few regulatory considerations are to be taken into account before using Benzethonium Chloride as an ingredient. Given below is the list of those regulations:
FDA Requirements: Manufacturers must comply with labeling, certification, and usage requirements for Benzethonium Chloride as mandated by the Federal Food, Drug, and Cosmetic Act.
New Zealand EPA Inventory of Chemical Status: Approved for use under appropriate group standards without requiring individual approval.
California Safe Cosmetics Program (CSCP) Reportable Ingredient: Listed as a priority chemical; report required if used as a fragrance or flavor ingredient.
Benzethonium Chloride Side Effects
Benzethonium Chloride is a potent antimicrobial agent with low toxicity at recommended usage levels. However, exposure to high concentrations can result in irritation or sensitization, particularly for the skin and eyes.
Ingestion of large amounts is hazardous, potentially causing gastrointestinal distress, convulsions, or even fatal outcomes. Proper handling, usage, and formulation concentrations are crucial to minimizing its toxicological risks in cosmetic and personal care applications.
Potential risks
Given below is the list of potential side effects associated with the use of Benzethonium Chloride in cosmetics:
- Contact dermatitis (Skin Disease)
Symptoms
- Eye Exposure: Can cause redness, blurred vision, pain, severe burns.
- Skin Exposure: Can cause redness, pain, potential burns.
- Ingestion Exposure: May lead to nausea, vomiting, diarrhea, convulsions, shock or collapse.
Adverse Effects
- Neurotoxin: Potential effects on the central nervous system.
- Occupational Hepatotoxin: Can cause liver toxicity in high doses.
- Methemoglobinemia: May increase blood methemoglobin levels.
- Dermatotoxin: Causes skin burns and irritation.
- Skin Sensitizer: Can induce allergic reactions in sensitive individuals.
Exposure Routes
Absorbed through skin or ingestion.
Human Toxicity Excerpts
Benzethonium Chloride ingestion can cause severe symptoms, including gastrointestinal distress, convulsions, and in some cases, fatal outcomes. The estimated lethal dose is between 1 and 3 grams.
National Toxicology Program Studies
Studies on mice exposed to Benzethonium Chloride showed no significant hypersensitivity responses, even at high concentrations.
Environmental and Sustainability Impact
Benzethonium Chloride is a cationic surfactant used in cosmetics as an antimicrobial agent, preservative, and emulsifier. While effective in small quantities, its environmental impact should be carefully considered:
Environmental Impact
- Water Pollution: Benzethonium Chloride is toxic to aquatic organisms and can persist in water systems, potentially leading to long-term ecological damage. It can disrupt aquatic life, particularly in freshwater environments, when released in significant quantities.
- Carbon Footprint: The production of Benzethonium Chloride requires chemical synthesis, which involves energy-intensive processes. Although its carbon footprint is not as high as some other industrial chemicals, it still contributes to environmental degradation due to the use of synthetic chemicals and energy in its manufacturing.
Sustainability
The sustainability of Benzethonium Chloride is influenced by its production and disposal practices.
- Raw Materials: Benzethonium Chloride is derived from petrochemical sources, which contribute to environmental degradation and greenhouse gas emissions.
- Energy Use: The synthesis of Benzethonium Chloride is energy-intensive, but its relatively low usage concentration in cosmetic formulations limits the overall environmental impact per product.
- End-of-Life Impact: If disposed of improperly, Benzethonium Chloride can accumulate in water systems, harming aquatic ecosystems. Proper disposal methods should be followed to minimize its environmental footprint.
Biodegradability and Toxicity
Benzethonium Chloride is biodegradable under certain conditions, but its degradation is slow in aquatic environments. It can be toxic to aquatic life, particularly in large concentrations.
- Toxicity: It is classified as toxic to aquatic life with long-lasting effects. While generally considered safe for human use in cosmetics, it poses a risk to the environment if released into water bodies.
- Environmental Impact: In large quantities, it can cause harm to ecosystems by disrupting aquatic environments and reducing biodiversity.
Eco-Friendly Alternatives
There are several alternatives to Benzethonium Chloride that may offer a lower environmental impact:
- Polylysine: A natural antimicrobial derived from fermentation, biodegradable and effective in some formulations.
- Leuconostoc/Radish Root Ferment Filtrate: A natural antimicrobial alternative for mild formulations.
- Caprylyl Glycol + Ethylhexylglycerin: A biodegradable, broad-spectrum preservative system.
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