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 with cationic surfactant properties and antimicrobial activity. This specialized quaternary ammonium salt features a long-chain docosanoyl (behenic acid-derived) group combined with a dimethylammonium head group and a dihydroxypropyl moiety. The molecular structure (C30H63ClN2O3) incorporates both hydrophilic and lipophilic components, making it an effective cationic surfactant with distinctive amphiphilic characteristics. The presence of the 22-carbon fatty acid chain provides excellent surface-active properties, while the quaternary nitrogen center contributes to its antimicrobial efficacy and positive charge distribution. The compound exhibits significant hazard classifications requiring careful handling protocols. It is classified as Eye Damage Category 1 and Skin Sensitizer Category 1, necessitating appropriate personal protective equipment during use. Additionally, it presents acute and chronic aquatic toxicity concerns, requiring controlled environmental release procedures. Transportation falls under ADR Class 9 miscellaneous dangerous goods regulations. Primary industrial applications include specialty antimicrobial formulations, where its long-chain structure provides enhanced substantivity compared to shorter-chain quaternary ammonium compounds. It serves effectively in industrial biocide systems and specialized surface treatment applications where both antimicrobial activity and surface modification are required. Unlike simpler compounds such as 2-chloro-N-(4-methylphenyl)acetamide, this quaternary ammonium derivative offers superior surface adhesion and prolonged antimicrobial action due to its amphiphilic structure. OYSI maintains reliable supply chains for this specialized quaternary ammonium compound, supporting European industrial customers with technical-grade material and comprehensive safety documentation.

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 and a molecular weight of 535.3 g/mol. This chemical features a long-chain fatty acid derivative (docosanoyl) linked to a propyl-dimethylazanium structure with a dihydroxypropyl group. It belongs to the class of cationic surfactants and exhibits both hydrophilic and lipophilic properties due to its amphiphilic structure.

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

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride has a molecular weight of 535.3 g/mol and the formula C30H63ClN2O3. As a quaternary ammonium salt with a long alkyl chain, it typically appears as a waxy solid or paste at room temperature. The compound is likely soluble in polar solvents due to its ionic nature and hydroxyl groups, while the long docosanoyl chain provides lipophilic characteristics.

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 and conditioning agent in personal care formulations. Its quaternary ammonium structure makes it effective as an antimicrobial agent and emulsifier. The compound is commonly found in hair care products, skin conditioners, and cosmetic formulations where it provides conditioning, antistatic, and mild preservative properties due to its cationic nature and long-chain structure.

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

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride requires careful handling as it causes serious eye damage and may cause skin sensitization. Wear appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas and avoid direct contact with skin and eyes. The compound carries the danger signal word and GHS pictograms GHS05, GHS07, and GHS09, indicating corrosive, harmful, and environmentally hazardous properties.

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 place away from heat sources and incompatible materials. Keep containers tightly closed and store in original packaging with proper labeling. Due to its classification as Aquatic Acute 1 and Aquatic Chronic 1, prevent environmental release during storage. Store away from strong oxidizing agents and acids, and ensure adequate ventilation in storage areas to prevent accumulation of vapors.

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

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride causes serious eye damage, so immediate eye irrigation with plenty of water for at least 15 minutes is critical, followed by immediate medical attention. For skin contact, wash thoroughly with soap and water and remove contaminated clothing. If ingested, rinse mouth with water and seek medical advice immediately. Do not induce vomiting. Due to potential skin sensitization, monitor for allergic reactions and seek medical attention if symptoms develop.

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 according to local, national, and international waste regulations due to its environmental hazard classification. The compound is classified as Aquatic Acute 1 and Aquatic Chronic 1, requiring specialized hazardous waste treatment. Contact licensed waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste and disposed of through authorized channels.

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

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Vehicles must carry appropriate placards and emergency information. Drivers require ADR training certification for Class 9 materials. Ensure packages are properly secured, labeled with UN numbers, and accompanied by transport documents including safety data sheets.

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

2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium chloride is subject to REACH regulation for chemical registration and evaluation in Europe, though it is not classified as a Substance of Very High Concern (SVHC). The compound must comply with CLP regulation for classification, labeling, and packaging requirements. Its environmental hazard classification may trigger additional reporting requirements under various environmental protection regulations. Cosmetic and personal care applications may require compliance with specific product regulations depending on intended use and concentration.

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 European distributor of specialty chemicals. OYSI provides this quaternary ammonium compound to various industries including personal care, cosmetics, and specialty chemical applications across Europe. As an established chemical distributor, OYSI ensures proper handling, documentation, and compliance with European regulations including REACH and CLP requirements. Contact OYSI directly for availability, technical specifications, and regulatory documentation for your specific application requirements.

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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.