Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid

C33H55N2O5S+

benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid

CAS124088-59-1
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
124088-59-1
EC Number
405-330-2
UN Number
3077
Index Number
612-119-00-0
PubChem CID
164150

Physical-chemical properties

Molecular Formula
C33H55N2O5S+
Molar Mass
591.90 g/mol
IUPAC Name
benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid

Chemical Identifiers

InChI
InChI=1S/C27H50N.C6H5NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1-4H,(H,10,11,12)/q+1;
InChI Key
BOFBUPWQQRTHQX-UHFFFAOYSA-N

Overview

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid (CAS 124088-59-1) is a quaternary ammonium compound with surfactant and antimicrobial properties. This specialized quaternary ammonium salt represents a sophisticated chemical compound combining a long-chain alkylammonium cation with a nitrobenzenesulfonic acid anion. The molecular structure features an octadecyl (C18) chain providing hydrophobic characteristics, while the benzyl and dimethyl groups contribute to its quaternary ammonium functionality. With a molecular weight of 591.9 g/mol and formula C33H55N2O5S+, this compound exhibits typical cationic surfactant behavior essential for various industrial applications. The compound's safety profile requires careful handling due to its classification as a skin irritant (Category 2) and severe eye damage potential (Category 1). The GHS05 pictogram indicates corrosive properties, while GHS09 reflects its environmental hazards, particularly acute and chronic aquatic toxicity. As an ADR Class 9 substance, it requires appropriate transport precautions and professional handling protocols. Industrial applications primarily focus on specialized surfactant formulations, antimicrobial treatments, and conditioning agents in technical processes. The compound's unique structure makes it valuable in applications requiring both surface-active properties and biocidal activity. Unlike simpler compounds such as 4-(2,4,4-trimethylpentan-2-yl)phenol, this quaternary ammonium derivative offers enhanced performance in aqueous systems through its dual-functional design. Manufacturing sectors utilize this compound in specialty cleaning formulations, industrial biocides, and advanced material treatments where conventional surfactants prove insufficient. Its long alkyl chain provides excellent substantivity on various surfaces. OYSI maintains reliable supply chains for benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid, supporting European customers with technical-grade material and comprehensive safety documentation.

Safety & Classification

Danger
Classification:

Skin Irrit. 2; Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H318

Causes serious 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

Irritant

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:

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameBenzyldimethyloctadecylammonium-3-nitrobenzensulfonat
Marine PollutantNo

Frequently Asked Questions

What is benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid is a quaternary ammonium compound with CAS number 124088-59-1 and molecular formula C33H55N2O5S+. This chemical substance has a molecular weight of 591.9 g/mol and combines a long-chain alkyl ammonium cation with a nitrobenzenesulfonic acid anion. It is classified as a hazardous substance with skin irritation and eye damage properties, as well as acute and chronic aquatic toxicity.

What are the physicochemical properties of benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid is a complex organic salt with a molecular weight of 591.9 g/mol. As a quaternary ammonium compound with a long octadecyl chain, it likely exhibits surfactant properties and may appear as a solid or viscous liquid at room temperature. The presence of the nitrobenzenesulfonic acid component suggests potential solubility in polar solvents. Specific physical properties such as melting point, color, and odor require laboratory analysis for precise determination.

What is benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid used for?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid is primarily used as a surfactant and antimicrobial agent in industrial applications. Its quaternary ammonium structure makes it effective for surface treatment, emulsification, and disinfection processes. Common applications include formulation of cleaning products, industrial biocides, and specialty chemical preparations. The compound may also serve as an intermediate in pharmaceutical or cosmetic manufacturing, though specific end-use applications depend on the manufacturer's formulation requirements and regulatory approvals.

How to handle benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid safely?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid requires careful handling due to its skin irritation and severe eye damage properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles or face shield, and protective clothing. Work in well-ventilated areas or under fume extraction. Avoid skin and eye contact, and prevent inhalation of vapors or dust. Use appropriate handling tools and ensure emergency eyewash stations are accessible. Follow GHS05 and GHS09 pictogram warnings for corrosive and environmentally hazardous substances.

How to store benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid correctly?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid should be stored in tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area. Keep away from heat sources, strong oxidizers, and incompatible materials. Storage areas must be equipped with appropriate spill containment measures due to its aquatic toxicity classification. Maintain temperatures within manufacturer specifications and protect from moisture. Ensure storage facilities comply with local environmental regulations given the substance's acute and chronic aquatic hazard classification under GHS09.

What to do in case of contact with benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid?

Immediate action is required for contact with benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid due to its corrosive properties. For eye contact, rinse immediately with copious amounts of water for at least 15 minutes and seek medical attention urgently due to potential severe eye damage. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention. Always consult the safety data sheet for complete first aid procedures.

How to dispose of benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid appropriately?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid must be disposed of as hazardous waste through licensed waste management companies due to its environmental hazard classification. The substance cannot be discharged to sewers or waterways given its acute and chronic aquatic toxicity. Disposal must comply with local environmental regulations and ADR Class 9 transportation requirements. Contaminated packaging should also be treated as hazardous waste. Contact specialized hazardous waste disposal services for proper collection, treatment, and disposal according to applicable environmental legislation.

How to transport benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and transport documentation including safety data sheets. Vehicles must comply with ADR regulations for Class 9 substances, including appropriate equipment and driver training. The environmental hazard classification may require additional marine pollutant markings for multimodal transport. Always consult current ADR regulations and professional logistics providers for compliant transportation.

Is benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid subject to specific regulations?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid is subject to EU REACH regulation for registration, evaluation, and authorization of chemicals, though it is not currently listed as a Substance of Very High Concern (SVHC). The substance must comply with CLP regulation for classification, labeling, and packaging, displaying appropriate GHS05 and GHS09 pictograms with 'Danger' signal word. Additional regulations may apply for biocidal or industrial use applications. Companies must maintain safety data sheets and ensure proper risk assessments for occupational and environmental exposure.

Where to buy benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid in Europe?

Benzyl-dimethyl-octadecylazanium;3-nitrobenzenesulfonic acid is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides this substance with full regulatory compliance including proper classification, labeling, and safety documentation required under EU regulations. As a professional chemical distributor, OYSI ensures appropriate packaging, handling, and delivery across Europe while maintaining the highest safety and quality standards. Contact OYSI directly for availability, specifications, and delivery options tailored to your specific industrial or research requirements.

Data Sources

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