Dimethyldioctadecylammonium chloride Dimethyldioctadecylammonium chloride

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:107-64-2

MDL number:MFCD00055540

EINECS number:203-508-2

RTECS number:BQ1923000

BRN number:3580288

PubChem number:24865035

Physical property data

1. Properties: Appearance: white or slightly yellow solid

2. Density (g/mL, 25℃): 0.85-0.87

3. Relative vapor density (g/mL, air=1) : Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC , kPa): Not determined

7. Refractive index (_D²⁰): Not determined

8. Flash point ( ºC): Not determined

9. Specific rotation (ºC): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturation vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/ Log value of the distribution coefficient (water): Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in polar solvents, slightly soluble in water, soluble in water when heated, and soluble in isopropyl alcohol.

Toxicological data

Acute toxicity: Rat oral LD50: 11300mg/kg

Ecological data

EcotoxicityEffects of ��:

Remarks: Highly toxic to fish

General remarks:

Water hazard level 1 (German regulations) (self-check via list Assessment) This substance is slightly harmful to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

It is also poisonous to fish and plankton in water bodies.

Do not discharge materials into the surrounding environment without government permission.

Highly toxic to organic matter in water.

Molecular structure data

1. Molar refractive index: 51.01

2. Molar volume (cm³/mol): 194.9

3. Isotonic specific volume (90.2K ): 478.6

4. Surface tension (dyne/cm): 36.3

5. Polarizability (10-24cm3): 11.52

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 34

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 40

8. Surface charge: 0

9. Complexity: 391

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

1. Good compatibility with cationic, nonionic and zwitterionic surfactants. It has good emulsification and dispersion, antistatic and anti-corrosion properties. 2. Insoluble in water, soluble in isopropyl alcohol. It has stable performance and can be compatible with nonionic and amphoteric surfactants. It has soft, bactericidal and antistatic properties.

Storage method

Packed in plastic barrels. Store in a cool and dry place, not suitable for long-term storage above 100℃.

Synthesis method

1. Prepared by quaternization reaction of dioctadecyl·methyl tertiary amine and methyl chloride.

(1) Preparation of octadecylmethyl tertiary amine stearyl alcohol in hydrogenation and dehydrogenation reaction catalysts such as Cu-Cr, It is produced by heating and reacting with monomethylamine in the presence of so-called composite catalysts such as Ni-Cu. This preparation route has a single raw material, simple equipment, and no waste pollution. The key is to select a highly active catalyst, select the appropriate feeding temperature and feeding speed (monomethylamine). The reaction formula is as follows:

(2) Quaternization reaction: Quaternize dioctadecylmethyl tertiary amine with methyl chloride at a reaction temperature of 90 to 95°C and with isopropyl alcohol. Use it as a solvent and add a small amount of sodium carbonate or sodium bicarbonate. In order to increase the solubility of methyl chloride and promote intermolecular contact and reaction, the reaction needs to be carried out under a pressure of 245 to 294kPa. The reaction formula is as follows:

2. Prepare nitriles through ammoniation and dehydration of fatty acids, hydrogenation of nitriles to produce secondary amines, and then quaternaryammonization. have to.
(1) Preparation of dioctadecyl secondary amine: First, fatty acids are ammoniated and dehydrated to produce nitriles. Industrially, bauxite, ZnO, Mn or Co salts are used as catalysts, and the reaction temperature is between 280 and 360°C. Subsequently, the nitrile is hydrogenated under the catalysis of Ni catalyst to obtain the secondary amine. This step of the reaction requires the removal of ammonia to ensure that the reaction is complete.
(2) Dioctadecyl secondary amine quaternization reaction uses methyl chloride as the alkylation reagent and isopropyl alcohol as the solvent. Add an appropriate amount of sodium hydroxide to neutralize the hydrogen chloride generated by the reaction. Octalkyl secondary amine undergoes quaternization reaction, and after the reaction is completed, it is filtered to remove solid sodium chloride to obtain DODNAC product.

Purpose

1. Can be used as softener, antistatic agent, conditioner and bactericide. Used in fabric softeners, hair conditioners, fungicides in oil well mining, organic bentonite modifiers, mineral flotation agents, etc.

2.Be It is widely used in fabrics, textiles, light industry, chemical industry, oil exploration and other fields. It can be used as a bactericidal and slime antifouling agent in water treatment. It can be used as a soft conditioner and antistatic agent for fabrics. It can give the fabric a soft, smooth and bulky feel, and a smooth and crisp appearance. It also makes the fabric antistatic, does not absorb dust, is easy to iron, easy to dry, and does not Generates static electricity and is comfortable to wear. It can also be used as a modifier of bentonite, asphalt emulsifier, mineral flotation agent, tertiary oil recovery, plastic antistatic agent, detergent, cosmetics and other fields.

3.Dioctadecyldimethylammonium chloride can be used for sterilization and slime antifouling in water treatment At the same time, it is widely used in various fields such as fabrics, textiles, light industry, chemical industry, and oil exploration. It can be used as a soft conditioner and antistatic agent for fabrics, and can give the fabrics a soft, smooth, bulky and other good feel. The appearance is smooth and crisp, and the fabric has antistatic properties, does not absorb dust, is easy to iron, is easy to dry, does not generate static electricity, and is comfortable to wear. It can be used as a modifier of bentonite, asphalt emulsifier, mineral flotation agent, and also used in tertiary oil recovery, plastic antistatic agent, detergent, cosmetics and other industries. In addition, this product can also be used as stabilizer, lubricant, plastic additive, color decolorizing agent and preservative.

It is used as green emulsifier and mineral flotation agent, and is also used in tertiary oil recovery, plastic antistatic agent, detergent, cosmetics and other industries. In addition, this product can also be used as stabilizer, lubricant, plastic additive, color decolorizing agent and preservative.