N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium
Benzethonium chloride
CAS: 121-54-0
Molecular Formula: C27H42ClNO2
N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium - Names and Identifiers
| Name | Benzethonium chloride |
| Synonyms | Hyamine 1622 Hyamine?1622 Benzethonium chL Benzethonium chloride Benzethenium chloride Hyamine?1622 solution BENZETHONIUM CHLORIDE EP 2-phenylethyliuM chloride BENZETHONIUM CHLORIDE BIOULTRA Hyamine(rg 1622~Phemerol chloride Factory price Benzethonium chloride (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride (Diisobutylphenoxyethoxyethyl)dimethylbenzylammo-nium chloride N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride |
| CAS | 121-54-0 |
| EINECS | 204-479-9 |
| InChI | InChI=1/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1 |
N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium - Physico-chemical Properties
| Molecular Formula | C27H42ClNO2 |
| Molar Mass | 448.08 |
| Density | 0.998g/mLat 20°C |
| Melting Point | 162-164 °C (lit.) |
| Boling Point | 162℃[at 101 325 Pa] |
| Water Solubility | 1-5 g/100 mL at 18 ºC |
| Solubility | Soluble in water, soluble in alcohol, acetone and chloroform. |
| Appearance | Crystallization |
| Color | White |
| Odor | Odorless |
| Merck | 14,1074 |
| BRN | 3898548 |
| PH | 5.5-7.5 (25℃, 0.1M in H2O) |
| Storage Condition | 2-8°C |
| Stability | Stability Stable, but hygroscopic. Incompatible with strong oxidizing agents, soap, anionic detergents, nitrates, acids. Light sensitive. |
| Sensitive | Hygroscopic |
| Refractive Index | 1.5650 (estimate) |
| MDL | MFCD00011742 |
| Physical and Chemical Properties | Plate-like crystals. Melting point 164-166 ℃, soluble in water to form a foam-like soap aqueous solution, soluble in ethanol, acetone, chloroform. The pH of the 1% aqueous solution was 5.5. |
| Use | Disinfection antiseptic drug. |
N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36 - Irritating to the eyes R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R34 - Causes burns R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/39 - S24/25 - Avoid contact with skin and eyes. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN1759 |
| WGK Germany | 2 |
| RTECS | BO7175000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29239000 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 i.v. in mice: 29.5 mg/kg (Weiss) |
N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium - Reference
| Reference Show more | 1. Yang Songning Yin Shuang Liu Pengfei et al. Preparation of Low Molecular Weight Heparin by β Pyrolysis [J]. 2015 30(003):356-358. |
N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium - Reference Information
| pH indicator color change ph range | 5.5 - 7.5 |
| LogP | 1.08 at 20℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | benzethonium chloride is a new type of quaternary ammonium salt antibacterial agent, which is widely used in daily chemicals and cosmetics industries. In addition, as a bactericidal and antibacterial agent, it also has important applications in the field of medicine and health. For example, as an antibacterial component of eye drops or as an antibacterial component of injections, it has been widely used in Western countries. Benzethonium chloride is an essential key intermediate in the production of heparin sodium products. |
| application | benzyl chloride ammonium products are widely and stable in medicine, daily chemicals, cosmetics and other fields. Among them, in the field of heparin sodium alone, the annual demand for this product is more than 200 tons, mainly used for purifying heparin sodium, or for the production of low molecular weight heparin sodium and enoxaparin. In the daily chemical industry, disinfection wipes are also widely used as a sterilization component, the annual use of tens of tons, and the entire daily chemical industry demand for benzethonium chloride is expanding rapidly, the amount will rise rapidly. In the field of cosmetics and environmental disinfection, this product is also very popular, and the scope of promotion and application and market prospects are very broad. |
| use | antiseptic. the positive ion in washing powder detection is used to titrate sulfonic acid anion, and the general dosage is 4g/week. Low dosage can effectively kill all kinds of microorganisms; It has the effect of sterilization and deodorization. Crystals are easily soluble in water and other solvents and can be used to prepare powdered or liquid domestic or industrial fungicides and disinfectants. It can also be used as a preservative or antibacterial agent for topical veterinary and monopoly drugs. It is applied according to the use guidelines and is not corrosive to the environmental surface. Cationic surfactant. A co-solvent that hydrolyzes the gel. Phenethylammonium chloride is used to study and evaluate the minimum inhibitory concentration of methicillin-resistant Staphylococcus aureus (MRSA) isolated from Malaysia; used to prepare biocomposite membranes using sodium alginate and modified clay |
| production method | p-(1,1,3,3-tetramethylbutyl) phenoxyethyl dimethylamine is prepared from p-(diisobutyl) phenol, dichlorodiethyl ether and dimethylamine, and then it is heated with benzyl chloride in benzene for 2 hours to evaporate benzene to obtain benzyl ammonium chloride. |
| category | pesticide |
| toxicity classification | highly toxic |
| acute toxicity | oral-rat LD50: 368 mg/kg; Oral-mouse LD50: 338 mg/kg |
| stimulation data | eye-rabbit 0.03 mg severe |
| flammability hazard characteristics | combustible; combustion produces toxic nitrogen oxides, ammonia and chloride smoke |
| storage and transportation characteristics | ventilation and low temperature drying; separate from warehouse food raw materials |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:06
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