2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride

C30H63ClN2O3

CAS136920-10-0
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
136920-10-0
EC Number
423-420-1
UN Number
3082
Index Number
017-021-00-6
PubChem CID
49785643

Physical-chemical properties

Molecular Formula
C30H63ClN2O3
Molar Mass
535.30 g/mol
IUPAC Name
2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride

Chemical Identifiers

InChI
InChI=1S/C30H62N2O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(35)31-25-23-26-32(2,3)27-29(34)28-33;/h29,33-34H,4-28H2,1-3H3;1H
InChI Key
XJMNWALRJHPRBS-UHFFFAOYSA-N

Overview

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride (CAS 136920-10-0) is a quaternary ammonium compound featuring long-chain fatty acid derivatization and hydroxyl functionalities. This specialized quaternary ammonium surfactant represents an advanced class of cationic compounds designed for demanding industrial applications. With its molecular formula C30H63ClN2O3 and molecular weight of 535.3 g/mol, this substance combines the surface-active properties of quaternary ammonium salts with the enhanced performance characteristics imparted by its docosanoyl (behenic acid) chain and glycol functionality. The compound's unique structure, featuring both hydrophilic quaternary nitrogen centers and lipophilic long-chain components, enables exceptional surface tension reduction and antimicrobial properties. The substance presents significant safety considerations, classified under multiple hazard categories including Eye Dam. 1 and Skin Sens. 1, requiring careful handling protocols. Its environmental impact classification as Aquatic Acute 1 and Aquatic Chronic 1 necessitates proper waste management and containment procedures. The ADR Class 9 designation reflects its miscellaneous dangerous goods status for transportation purposes. Primary industrial applications include specialized surfactant formulations for enhanced oil recovery, high-performance cleaning systems, and antimicrobial treatments where conventional quaternary ammonium compounds prove insufficient. Unlike simpler compounds such as 2-chloro-N-(4-methylphenyl)acetamide, this advanced surfactant offers superior performance in extreme conditions due to its optimized molecular architecture. The formulation industry particularly values this compound for developing premium personal care products and industrial cleaners where both efficacy and mildness are required. OYSI maintains strategic inventory of this specialized quaternary ammonium compound to support European chemical manufacturers requiring high-performance surfactant solutions.

Safety & Classification

Danger
Classification:

Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameBehenamidopropyl-dimethyl-(dihydroxypropyl)ammoniumchlorid
Marine PollutantNo

Frequently Asked Questions

What is 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is a quaternary ammonium compound with the molecular formula C30H63ClN2O3. This chemical features a long-chain fatty acid derivative (docosanoyl) attached to a propyl-dimethylazanium structure with a dihydroxypropyl group. With a molecular weight of 535.3 g/mol and CAS number 136920-10-0, it belongs to the class of cationic surfactants and exhibits amphiphilic properties due to its hydrophobic fatty acid chain and hydrophilic quaternary ammonium head group.

What are the physicochemical properties of 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is a solid compound at room temperature due to its high molecular weight of 535.3 g/mol. As a quaternary ammonium salt with a long fatty acid chain, it typically appears as a waxy or crystalline solid, often white to off-white in color. The compound exhibits amphiphilic properties, being partially soluble in water due to its ionic head group while maintaining hydrophobic characteristics from the docosanoyl chain.

What is 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride used for?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is primarily used as a cationic surfactant in various industrial applications. Its quaternary ammonium structure makes it valuable as an antimicrobial agent, emulsifier, and conditioning agent in personal care products. The compound is also utilized in textile treatment, hair conditioning formulations, and as a fabric softener component. Its long-chain fatty acid structure provides excellent surface-active properties, making it suitable for specialized cleaning and conditioning applications in industrial processes.

How to handle 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride safely?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride requires careful handling due to its classification as Eye Dam. 1 and Skin Sens. 1. Essential personal protective equipment includes safety goggles or face shield, chemical-resistant gloves (nitrile or neoprene), and protective clothing to prevent skin contact. Work in well-ventilated areas and avoid creating dust. Handle with appropriate tools to minimize direct contact, and ensure emergency eyewash stations are readily available. Always follow workplace safety protocols and consult the safety data sheet before use.

How to store 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride correctly?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizing agents and acids. Maintain storage temperature between 15-25°C for optimal stability. Ensure storage area is equipped with appropriate spill containment measures and is accessible only to trained personnel. Use original labeled containers and implement proper inventory management to ensure product integrity.

What to do in case of contact with 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride?

Immediate first aid is crucial due to the compound's Eye Dam. 1 classification. For eye contact, rinse immediately with plenty of clean water for at least 15 minutes, holding eyelids open, and seek medical attention urgently. In case of skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If skin sensitization symptoms develop, seek medical advice. For inhalation, move to fresh air immediately. If ingested, rinse mouth with water and seek medical attention. Never induce vomiting and always consult a physician if symptoms persist.

How to dispose of 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride appropriately?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride must be disposed of through licensed hazardous waste management facilities due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Never discharge into water systems, sewers, or soil. Collect waste in appropriate, labeled containers and arrange disposal through certified waste contractors. Follow local and national regulations for hazardous chemical disposal. Consider recovery or recycling options where available. Contaminated packaging should also be treated as hazardous waste unless thoroughly cleaned according to regulatory standards.

How to transport 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation. Use appropriate UN-specification packaging designed for Class 9 materials with proper hazard labels and documentation. Ensure packages are properly sealed, labeled, and accompanied by transport documents including safety data sheets. Vehicle placarding and driver training requirements must be met according to ADR regulations. Choose carriers experienced in handling Class 9 dangerous goods and ensure compliance with all applicable transport regulations.

Is 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride subject to specific regulations?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is subject to European REACH regulation requiring registration and safety data sheet provision. The compound is not classified as SVHC (Substance of Very High Concern) under REACH. It falls under CLP regulation with mandatory hazard classification (Eye Dam. 1, Skin Sens. 1, Aquatic Acute 1, Aquatic Chronic 1) and appropriate labeling requirements. Additional regulations may apply depending on specific applications, particularly in cosmetics, biocides, or industrial chemical use. Always verify current regulatory status before commercial use.

Where to buy 2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride in Europe?

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this quaternary ammonium compound to industrial customers across Europe with proper documentation including certificates of analysis and safety data sheets. As a professional chemical distributor, OYSI ensures compliance with European regulations including REACH registration requirements. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements. Professional customers can access detailed product information and request quotes through OYSI's distribution network.

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2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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