N-Hexadecyltrimethylammonium chloride CAS 112-02-7
Introduction：Basic information about N-Hexadecyltrimethylammonium chloride CAS 112-02-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
N-Hexadecyltrimethylammonium chloride Basic information
| Product Name: | N-Hexadecyltrimethylammonium chloride |
| Synonyms: | barquatct29;1631(Cl);1631;C16-alkyltrimethylammonium chloride;cetyl Trimethyl Ammonium chloride Powder and 50% solution;(1-Hexadecyl)trimethylammonium chloride;HEXADECYLTRIMETHYLAMMONIUM CHLORIDE SOL. , ~25% IN WATER;CETYLTRIMETHYLAMMONIUM CHLORIDE, 25 WT. % SOLUTION IN WATER |
| CAS: | 112-02-7 |
| MF: | C19H42ClN |
| MW: | 320 |
| EINECS: | 203-928-6 |
| Product Categories: | Alkylamine Salts & Quarternary Ammonium Salts (Surfactants);Ammonium Chlorides (Quaternary);Biochemistry;Cationic Surfactants;Hair Care;Home Care;Piperidines ,Piperazines ,Homopiperidines;Quaternary ammonium salt;Water Ttreatment Chemicals;Cationic Surfactants (for Biochemistry);Functional Materials;Quaternary Ammonium Compounds;Surfactants;Surfactants (for Biochemistry);bc0001;112-02-7 |
| Mol File: | 112-02-7.mol |
N-Hexadecyltrimethylammonium chloride Chemical Properties
| Melting point | 232-234 °C |
| Boiling point | 475.54°C (rough estimate) |
| density | 0.968 g/mL at 25 °C |
| vapor pressure | 0.006Pa at 25℃ |
| refractive index | n |
| storage temp. | Store below +30°C. |
| solubility | Water (Slightly) |
| form | Amorphous Powder |
| color | White |
| Specific Gravity | 0.968 |
| Odor | at 100.00?%. bland |
| PH | pH(50g/l, 25℃) : 6.0～8.5 |
| Water Solubility | Soluble |
| BRN | 3657974 |
| Cosmetics Ingredients Functions | PRESERVATIVE SURFACTANT - EMULSIFYING ANTIMICROBIAL ANTISTATIC |
| Cosmetic Ingredient Review (CIR) | N-Hexadecyltrimethylammonium chloride (112-02-7) |
| InChI | 1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1 |
| InChIKey | WOWHHFRSBJGXCM-UHFFFAOYSA-M |
| SMILES | [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C |
| LogP | 3.08 at 25℃ |
| CAS DataBase Reference | 112-02-7(CAS DataBase Reference) |
| EPA Substance Registry System | Cetyl trimethyl ammonium chloride (112-02-7) |
Safety Information
| Hazard Codes | Xi,N,Xn |
| Risk Statements | 38-41-50-50/53-37/38-22-43-36/37/38 |
| Safety Statements | 26-39-60-61-37/39-36 |
| RIDADR | UN 3082 9/PG 3 |
| WGK Germany | 3 |
| RTECS | ML9145000 |
| F | 3 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29239000 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Skin Corr. 1C |
| Hazardous Substances Data | 112-02-7(Hazardous Substances Data) |
| Toxicity | LD50 skin in rabbit: 4300uL/kg/24H |
| Chemical Properties | Liquid |
| Uses | Barquat(R) CT-29 is a quaternary ammonium based surfactant that finds uses in broad number of industrial cleaning products. Product Data Sheet |
| Uses | Carsoquat(R) 450I is used in hair care formulations, as hair conditioner, cream rinse ingredient.. |
| Uses | Carsoquat(R) CT-425 is used in hair care formulations, as hair conditioner, cream rinse ingredient.. |
| Uses | Carsoquat(R) CT-429 is used in hair care formulations, as hair conditioner, cream rinse ingredient.. |
| Uses | cetrimonium chloride can be incorporated into a cosmetic preparation for any number of formulatory needs including as an anti-static, an emulsifier, and a surfactant. It can also be used as a preservative and anti-microbial against the proliferation of bacteria, fungi, and yeast. |
| Definition | ChEBI: The organic chloride salt of cetyltrimethylammonium. |
| General Description | Colorless to pale yellow liquid with an odor of rubbing alcohol. Floats or sinks in water. |
| Reactivity Profile | Acidic salts, such as N-Hexadecyltrimethylammonium chloride, are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions. |
| Hazard | A poison by ingestion and skin contact. |
| Health Hazard | Ingestion may produce toxic effects. Contact with eyes or skin may cause severe damage. |
| Flammability and Explosibility | Non flammable |
| Purification Methods | Crystallise the chloride from acetone/ether mixture, EtOH/ether, or from MeOH. [Moss et al. J Am Chem Soc 109 4363 1987, Beilstein 4 IV 819.] |
N-Hexadecyltrimethylammonium chloride Preparation Products And Raw materials
| Raw materials | Ethyl acetate-->Dimethylamine |
| Preparation Products | Greasing agent,cationic-->Hexadecyl trimethyl ammonium iodide |
