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| | Dodecyldimethylbenzylammonium chloride Basic information |
| | Dodecyldimethylbenzylammonium chloride Chemical Properties |
| Melting point | ~60 °C | | Boiling point | 162.7℃[at 101 325 Pa] | | density | 1.03[at 20℃] | | vapor pressure | 0Pa at 20℃ | | storage temp. | Sealed in dry,Room Temperature | | solubility | 866g/L in organic solvents at 20 ℃ | | form | Solid | | color | White to Off-White | | Water Solubility | 2g/L at 20℃ | | BRN | 3921689 | | Stability: | Hygroscopic | | Cosmetics Ingredients Functions | ANTISTATIC
PRESERVATIVE | | InChI | InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1 | | InChIKey | JBIROUFYLSSYDX-UHFFFAOYSA-M | | SMILES | C1(=CC=CC=C1)C[N+](C)(C)CCCCCCCCCCCC.[Cl-] | | LogP | 2.63 | | CAS DataBase Reference | 139-07-1(CAS DataBase Reference) | | EPA Substance Registry System | Dodecyl dimethyl benzyl ammonium chloride (139-07-1) |
| Hazard Codes | C,N | | Risk Statements | 21/22-34-50-50/53 | | Safety Statements | 36/37/39-45-61-60-26 | | RIDADR | UN 3261 8/PG 3 | | WGK Germany | 2 | | RTECS | BO6821500 | | F | 3-10 | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29239000 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B | | Toxicity | LD50 oral in rat: 400mg/kg |
| | Dodecyldimethylbenzylammonium chloride Usage And Synthesis |
| Chemical Properties | White fine crystalline powder | | Uses | Benzyldimethyldodecylammonium chloride, a quaternary ammonium compound (QAC), is a cationic surfactant that shows antimicrobial activity against Gram-negative bacterium Pseudomonas fluorescens. It can be used as a:
- corrosion inhibitor.
- synergist to increase the toxicity of the pesticide, indoxacarb against various pests.
- model for benzyltrialkylammonium salts to study the thermal degradation pathway of benzyl QACs.
| | Uses | Quaternary ammonium composition to treat herpes, pseudomonas, staph, hepatitis and other infectious diseases. | | Definition | ChEBI: Benzododecinium chloride is the organic chloride salt of benzododecinium. It has antiseptic and disinfectant properties, and used as a preservative in eye drop formulations. It has a role as an antiseptic drug, a disinfectant, an antifouling biocide and a surfactant. It is a quaternary ammonium salt and an organic chloride salt. It contains a benzododecinium. | | Flammability and Explosibility | Not classified | | Synthesis | General method: Dodecyldimethylbenzyl ammonium chloride is synthesized by aqueous phase alkylation reaction using dodecyldimethyl tertiary amine and benzyl chloride as raw materials. The specific steps are as follows: Dodecyldimethyl tertiary amine (6 mmol) and benzyl chloride (6 mmol) are dissolved in water (2-3 mL), and the mixture formed is stirred and reacted at 60-95°C for 0.3-4 hours. Upon completion of the reaction, the solvent was removed by vacuum evaporation. The resulting residue was purified by silica gel column chromatography using chloroform-methanol (10:1, v/v) as eluent or further purified by recrystallization methods. The specific reaction conditions, yields and physicochemical parameters of the quaternary ammonium compounds 1a-g, 2a-c and 5a-c are detailed in Table 3. 1H NMR spectral data of the products are listed in Table 5. | | References | [1] Russian Chemical Bulletin, 2014, vol. 63, # 11, p. 2445 - 2454
[2] Izv. Akad. Nauk, Ser. Khim., 2014, # 11, p. 2445 - 2454
[3] Yakugaku Zasshi, 1943, vol. 63, p. 589
[4] Chem.Abstr., 1951, p. 5100
[5] Journal of Colloid Science, 1946, vol. 1, p. 385 |
| | Dodecyldimethylbenzylammonium chloride Preparation Products And Raw materials |
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