Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate
C28H43NO3
benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate
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Identification
- CAS Number
- 113694-52-3
- EC Number
- 402-610-6
- UN Number
- 1760
- Index Number
- 612-095-00-1
- PubChem CID
- 5463769
Physical-chemical properties
- Molecular Formula
- C28H43NO3
- Molar Mass
- 441.60 g/mol
- IUPAC Name
- benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate
Chemical Identifiers
- InChI
- InChI=1S/C21H38NO.C7H6O2/c1-4-5-6-7-8-9-10-14-17-21(23)19-22(2,3)18-20-15-12-11-13-16-20;8-7(9)6-4-2-1-3-5-6/h11-13,15-16,21,23H,4-10,14,17-19H2,1-3H3;1-5H,(H,8,9)/q+1;/p-1
- InChI Key
- ZAUATMGOLMYDNR-UHFFFAOYSA-M
Overview
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate (CAS 113694-52-3) is a quaternary ammonium compound with surfactant and antimicrobial properties. This specialized quaternary ammonium salt features a complex molecular structure combining a benzyl group with a long-chain hydroxylated alkyl substituent and benzoate counterion. With its molecular formula C28H43NO3 and molecular weight of 441.6 g/mol, this compound exhibits unique surface-active properties that make it valuable in various industrial applications. The presence of both hydrophilic and hydrophobic moieties in its structure, along with the quaternary nitrogen center, contributes to its effectiveness as a surfactant and biocide. The compound presents significant safety considerations, classified under multiple hazard categories including acute toxicity (Category 4), skin corrosion (Category 1B), and aquatic toxicity (both acute and chronic Category 1). The GHS pictograms GHS07, GHS05, and GHS09 indicate health hazards, corrosive properties, and environmental dangers respectively. Its ADR classification as Class 8 identifies it as a corrosive substance requiring special handling and transportation protocols. Proper personal protective equipment and containment measures are essential when working with this material. Primary industrial applications include specialty surfactant formulations, antimicrobial treatments, and as an additive in cleaning products where both surface activity and biocidal properties are desired. Unlike simpler quaternary compounds or basic amines such as N-cyclohexylcyclohexanamine, this benzyl-substituted compound offers enhanced performance characteristics due to its aromatic functionality and extended alkyl chain structure. OYSI provides reliable access to benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate for European industrial customers requiring this specialized quaternary ammonium compound for their technical applications.
Safety & Classification
Acute Tox. 4 *; Skin Corr. 1B; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 1760 |
| ADR Class | 8 |
| Packing Group | II |
| Tunnel Code | E |
| Proper Shipping Name | Benzyl-2-hydroxydodecyldimethylammoniumbenzoat |
| Marine Pollutant | No |
Frequently Asked Questions
What is benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate is a quaternary ammonium compound with the molecular formula C28H43NO3 and CAS number 113694-52-3. This chemical substance has a molecular weight of 441.6 g/mol and belongs to the class of cationic surfactants. It is classified as a corrosive substance with acute toxicity properties and poses significant risks to aquatic environments, requiring careful handling and storage procedures.
What are the physicochemical properties of benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate has a molecular mass of 441.6 g/mol with the formula C28H43NO3. As a quaternary ammonium compound, it typically appears as a solid or viscous liquid at room temperature. The presence of both hydrophilic quaternary ammonium and hydrophobic dodecyl chains gives it surfactant properties, making it soluble in polar solvents and capable of reducing surface tension in aqueous solutions.
What is benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate used for?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate is primarily used as a cationic surfactant in various industrial applications. Its quaternary ammonium structure makes it effective as an antimicrobial agent, emulsifier, and conditioning agent in formulations. It finds applications in personal care products, industrial cleaning formulations, and as a biocide in water treatment systems, where its surfactant and antimicrobial properties are particularly valuable.
How to handle benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate safely?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate must be handled with extreme caution due to its corrosive nature and acute toxicity. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems. Avoid direct contact with skin, eyes, and inhalation of vapors. Have emergency eyewash and safety shower facilities readily available in the work area.
How to store benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate correctly?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate should be stored in tightly sealed, corrosion-resistant containers in a cool, dry, well-ventilated area away from incompatible materials. Keep away from heat sources, direct sunlight, and moisture. Store separately from reducing agents, strong acids, and metals. Ensure storage areas have appropriate spill containment measures and are equipped with suitable fire suppression systems. Regular inspection of container integrity is essential.
What to do in case of contact with benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate exposure requires immediate action due to its corrosive properties. For skin contact, immediately remove contaminated clothing and rinse affected area with copious amounts of water for at least 15 minutes. For eye contact, flush immediately with water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek immediate medical attention in all cases of exposure and bring the safety data sheet.
How to dispose of benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate appropriately?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate must be disposed of as hazardous waste due to its corrosive and aquatic toxic properties. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or soil due to its high aquatic toxicity classification. Small quantities may require neutralization before disposal. Follow all local, national, and EU waste regulations including proper waste coding and documentation requirements.
How to transport benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate is classified under ADR Class 8 (Corrosive substances), Packing Group II, indicating moderate danger level for transport. Use appropriate UN-specification packaging suitable for corrosive liquids or solids. Vehicles must display proper hazard placards and carry emergency response information. Transport personnel require ADR training certification. Ensure proper documentation including transport documents and emergency response procedures are available during shipment.
Is benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate subject to particular regulations?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate is subject to EU REACH regulation requiring registration for manufacture or import above one tonne annually. It falls under CLP regulation with mandatory hazard classification and labeling requirements. The substance is not currently listed as SVHC under REACH. Users must comply with occupational safety regulations due to its corrosive and toxic properties, and environmental regulations due to its aquatic toxicity classification.
Where to buy benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate in Europe?
Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this quaternary ammonium compound to industrial customers across Europe with appropriate documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures compliance with European chemical regulations and provides technical support for industrial applications requiring this specialized surfactant compound.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.