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| CAS No.: | 1119-97-7 |
|---|---|
| Name: | Cetrimide |
| Molecular Structure: | |
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|
|
| Formula: | C17H38N.Br |
| Molecular Weight: | 350.426 |
| Synonyms: | Tetradonium bromide;1-Tetradecanaminium, N,N,N-trimethyl-, bromide;Myristyl trimethyl ammonium bromide;Myristyltrimethylammonium bromide;N,N,N-Trimethyl-1-tetradecanaminium bromide;Myrtrimonium bromide;Ammonium, trimethyltetradecyl-, bromide;Bromure de tetradonium;Quaternium 13;Trimethyltetradecylammonium bromide; |
| EINECS: | 214-291-9 |
| Density: | 1.1328 (rough estimate) |
| Melting Point: | 245-250 °C |
| Solubility: | 20 g/100 mL in water |
| Appearance: | white powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45-27 |
| Transport Information: | UN 3263 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.39770 |
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Consensus Reports
Specification
The IUPAC name of Tetradecyl trimethyl ammonium bromide is trimethyl(tetradecyl)azanium bromide. With the CAS registry number 1119-97-7, it is also named as Myristyl trimethyl ammonium bromide. The product's categories are Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds, and the other registry number is 114568-24-0. Besides, it is white powder, which should be stored in tightly sealed containers in a cool, dry place. It is stable, hygroscopic, and incompatible with strong oxidizing agents. In addition, its molecular formula is C17H38N.Br and molecular weight is 336.40. This chemical is used as a surface active agent that is applied to shampoo, rubber, paint and other industries.
Physical properties about Tetradecyl trimethyl ammonium bromide are: (1)ACD/LogP: 1.536; (2)ACD/LogD (pH 5.5): 1.54; (3)ACD/LogD (pH 7.4): 1.54; (4)ACD/BCF (pH 5.5): 8.66; (5)ACD/BCF (pH 7.4): 8.66; (6)ACD/KOC (pH 5.5): 163.20; (7)ACD/KOC (pH 7.4): 163.20; (8)#H bond acceptors:1; (9)#Freely Rotating Bonds: 13
When you are using this chemical, please be cautious about it as the following: it may cause burns. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection. And please take off immediately all contaminated clothing. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: [Br-].C(CCCC[N+](C)(C)C)CCCCCCCCC
(2)InChI: InChI=1/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: CXRFDZFCGOPDTD-REWHXWOFAL
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 358mg/kg (358mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | National Technical Information Service. Vol. OTS0537650, |
| mouse | LD50 | intravenous | 12mg/kg (12mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980. |
| rat | LD50 | intravenous | 15mg/kg (15mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980. |
| rat | LD50 | oral | 3900mg/kg (3900mg/kg) | MUSCULOSKELETAL: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0543791, |