Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate

C28H43NO3

benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate

CAS113694-52-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 represents an important class of cationic surfactants widely utilized in industrial applications requiring both surface-active and biocidal properties. With its molecular formula C28H43NO3 and molecular weight of 441.6 g/mol, this compound combines a benzyl-dimethyl quaternary ammonium head group with a hydroxydodecyl chain and benzoate counterion, creating a unique amphiphilic structure that delivers exceptional performance in demanding chemical environments. The compound exhibits significant safety considerations, classified under multiple hazard categories including acute toxicity (Acute Tox. 4), severe skin corrosion (Skin Corr. 1B), and aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). These classifications necessitate careful handling protocols and appropriate personal protective equipment during industrial use. The ADR Class 8 designation indicates its corrosive nature during transport, requiring specialized packaging and documentation. Primary industrial applications include formulation of specialized cleaning agents, antimicrobial treatments for industrial surfaces, and as an active ingredient in disinfectant systems where both detergency and biocidal activity are required. The compound's dual functionality makes it particularly valuable in food processing facilities and pharmaceutical manufacturing environments. Unlike simpler compounds such as N-cyclohexylcyclohexanamine, this quaternary ammonium derivative offers superior antimicrobial efficacy combined with excellent wetting properties. Industrial users often select this compound for applications requiring persistent antimicrobial activity on treated surfaces, where its cationic nature enables strong adhesion to negatively charged substrates. OYSI maintains reliable supply chains for this specialized quaternary ammonium compound, supporting European industrial customers with consistent quality and technical documentation.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Skin Corr. 1B; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Harmful

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

Harmful

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

Harmful

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 Number1760
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping NameBenzyl-2-hydroxydodecyldimethylammoniumbenzoat
Marine PollutantNo

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 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 environmental hazards to aquatic life, requiring careful handling and storage protocols.

What are the physicochemical properties of benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate?

Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate is an organic compound with a molecular weight of 441.6 g/mol and formula C28H43NO3. As a quaternary ammonium salt, it typically appears as a solid or viscous liquid at room temperature. The compound contains both hydrophilic and hydrophobic regions due to its long alkyl chain and charged ammonium group, making it surface-active with potential solubility in polar solvents.

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. The compound finds applications in personal care products, industrial cleaning formulations, and as a biocide in water treatment systems, leveraging its surface-active and antimicrobial properties.

How to handle benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate safely?

Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate requires strict safety measures due to its corrosive and toxic properties. Always wear chemical-resistant gloves, safety goggles, and protective clothing when handling. Work in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact as the substance can cause severe burns. Use appropriate respiratory protection if aerosols may be generated during handling operations.

How to store benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate correctly?

Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate must be stored in tightly closed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers upright to prevent leakage and store away from heat sources and direct sunlight. Due to its corrosive nature, use chemically resistant containers and ensure storage areas have appropriate spill containment measures. Maintain proper labeling and restrict access to authorized personnel only.

What to do in case of contact with benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate?

Immediate action is required for any contact with benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate due to its corrosive properties. For skin contact, immediately remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. For eye contact, flush immediately with water for at least 15 minutes and seek immediate medical attention. If inhaled, move to fresh air immediately. Always consult a poison control center or physician for exposure incidents.

How to dispose of benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate properly?

Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate must be disposed of as hazardous waste through licensed waste management companies. The substance cannot be discharged to sewers or waterways due to its high aquatic toxicity and environmental persistence. Contaminated containers and materials require special handling as hazardous waste. Always comply with local, national, and EU waste regulations, and maintain proper documentation for waste disposal tracking and regulatory compliance.

How to transport benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate?

Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate is classified as ADR Class 8 (Corrosive substances), Packing Group II, indicating high corrosive hazard during transport. Shipments must use UN-approved packaging suitable for corrosive materials and display appropriate hazard labels and markings. Transport documents must include proper shipping names, hazard classes, and emergency response information. Only trained personnel should handle transport operations, following ADR regulations for corrosive substances.

Is benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate subject to specific regulations?

Benzyl-(2-hydroxydodecyl)-dimethylazanium benzoate is subject to EU REACH registration requirements and CLP classification as a corrosive substance with acute toxicity. It displays GHS pictograms GHS05, GHS07, and GHS09 with the signal word 'Danger'. The substance is not currently listed as SVHC under REACH. Companies must comply with safety data sheet requirements, proper labeling, and classification obligations under European chemical legislation.

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, ensuring compliance with REACH regulations and proper documentation. As a professional chemical distributor, OYSI offers technical support and regulatory guidance for customers requiring this specialized surfactant for their industrial applications.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.