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| CAS No.: | 112-03-8 |
|---|---|
| Name: | Trimethylstearylammonium Chloride |
| Molecular Structure: | |
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|
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| Formula: | C21H46N.Cl |
| Molecular Weight: | 348.056 |
| Synonyms: | Trimethyloctadecylammonium chloride (6CI);Aliquat 7;Arquad 18;Arquad18-50;Arquad 18-55;Arquad 18-63;Boraquat P 30;CA 2450;Stearimonium chloride;Steartrimonium chloride;Stearyltrimethylammonium chloride;Stearyltrimoniumchloride;Trimethylstearylammonium chloride;Varisoft TSC;1-Octadecanaminium,N,N,N-trimethyl-, chloride (9CI);Ammonium, trimethyloctadecyl-, chloride(8CI); |
| EINECS: | 203-929-1 |
| Density: | 0.6363 (g/ml) |
| Melting Point: | 80°C |
| Boiling Point: | 100°C |
| Solubility: | Soluble in water 1.759 mg/L @ 25°C. |
| Appearance: | solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39-37/39 |
| PSA: | 0.00000 |
| LogP: | 3.95810 |
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Consensus Reports
Specification
The Trimethyloctadecylammonium chloride is an organic compound with the formula C21H46N.Cl. The IUPAC name of this chemical is trimethyl(octadecyl)azanium chloride. With the CAS registry number 112-03-8, it is also named as N,N,N-Trimethyl-1-octadecanaminium chloride. The product's categories are Hair Care; Home Care; Alkylamine Salts & Quarternary Ammonium Salts (Surfactants); Ammonium Chlorides (Quaternary); Cationic Surfactants; Functional Materials; Quaternary Ammonium Compounds; Surfactants; Water Ttreatment Chemicals. Besides, it should be stored in a cool and well-ventilated place. It is used as a textile fiber antistatic agent, hair conditioner, asphalt, emulsifier of rubber and silicone oil. And it is widely used sanitizers.
Preparation: this chemical can be prepared by eighth tertiary amine and isopropanol. This reaction will need catalyst Sodium hydroxide.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
(2)InChI: InChI=1/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: VBIIFPGSPJYLRR-REWHXWOFAY
(4)Std. InChI: InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: VBIIFPGSPJYLRR-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 536mg/kg (536mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (103), Pg. 37, 1985. |
| mouse | LD50 | skin | 1600mg/kg (1600mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (103), Pg. 37, 1985. |
| mouse | LDLo | unreported | 50mg/kg (50mg/kg) | Annals of Tropical Medicine and |