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CAS No.: | 5137-55-3 |
---|---|
Name: | Methyl trioctyl ammonium chloride |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C25H54N.Cl |
Molecular Weight: | 404.163 |
Synonyms: | 1-Octanaminium,N-methyl-N,N-dioctyl-, chloride (9CI);Ammonium, methyltrioctyl-, chloride(8CI);Methyltrioctylammonium chloride (7CI);Capriquat;Methyltricaprylammonium chloride;TOMAC;TOMAC 75;Tri-n-octylmethylammoniumchloride;Tricaprylmethylammonium chloride;Trioctylmethylammonium chloride;Trioctylmonomethylammonium chloride; |
EINECS: | 225-896-2 |
Density: | 0.884 g/mL at 25 ºC |
Melting Point: | -20 °C |
Boiling Point: | 427.566 °C at 760 mmHg |
Flash Point: | 210.404 °C |
Solubility: | Partially insoluble |
Appearance: | viscous colourless to pale orange liquid |
Hazard Symbols: | Xn,N |
Risk Codes: | 22-38-41-50/53-36/37/38-20/21/22 |
Safety: | 26-39-60-61-36 |
Transport Information: | UN 2810 6.1/PG 3 |
PSA: | 0.00000 |
LogP: | 5.51850 |
Conditions | Yield |
---|---|
In toluene at 140℃; for 18h; | 99% |
1-Chlorooctane
tri-n-octylmethylammonium fluoride
A
1-Fluoro-octane
B
Aliquat 336
Conditions | Yield |
---|---|
at 80℃; Rate constant; Kinetics; Thermodynamic data; activation energy; |
Conditions | Yield |
---|---|
In acetonitrile at 50℃; for 24h; |
Conditions | Yield |
---|---|
With IRA-400(OH) resin In methanol at 20℃; | 100% |
Conditions | Yield |
---|---|
With Amberlite IRA-400(OH) resin In methanol at 20℃; | 100% |
Aliquat 336
Conditions | Yield |
---|---|
With sulfuric acid In toluene at 20℃; for 24h; | 99% |
With sulfuric acid In water |
Conditions | Yield |
---|---|
With sodium hydroxide In methanol at 60℃; for 2h; Large scale; | 98.1% |
2-chloro-6 fluorobenzyl chloride
Aliquat 336
N-methyladenine
9-(2-chloro-6-fluorobenzyl)-6-methylaminopurine
Conditions | Yield |
---|---|
With sodium hydroxide In acetone | 98% |
Conditions | Yield |
---|---|
With sodium hydroxide at 60℃; for 4h; | 98% |
With sodium hydroxide In water at 40℃; for 4h; Inert atmosphere; | 98% |
3-methoxy-4-hydroxybenzoic acid
Aliquat 336
tricaprylmethylammonium vanillate
Conditions | Yield |
---|---|
With sodium hydroxide In water; acetone at 40℃; for 24h; Inert atmosphere; | 98% |
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Structure of Methyl trioctyl ammonium chloride(5137-55-3) is reported in EPA TSCA Inventory.
The IUPAC name of Methyl trioctyl ammonium chloride is methyl(trioctyl)azanium chloride. With the CAS registry number 5137-55-3, it is also named as Trioctylmethylammonium. The product's categories are Industrial / Fine Chemicals; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds, and the other registry numbers are 13275-89-3; 134872-41-6; 3682-18-6; 41575-10-4; 76925-99-0. Besides, it is viscous colourless to pale orange liquid, which should be sealed in a dark, cool dry place. It is stable, but incompatible wth strong oxidizing agents. In addition, its molecular formula is C25H54N.Cl and molecular weight is 404.16.
The other characteristics of this product can be summarized as: (1)EINECS: 225-896-2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 21; (5)Exact Mass: 403.394478; (6)MonoIsotopic Mass: 403.394478; (7)Topological Polar Surface Area: 0; (8)Heavy Atom Count: 27; (9)Complexity: 220; (10)Density: 0.884 g/mL at 25 °C; (11)Melting point: -20 °C; (12)Flash point: 132 °C; (13)Boiling Point: 240 °C.
Uses of Methyl trioctyl ammonium chloride: it can be used to produce Methyl-trioctyl-ammonium; sulfate.
This reaction needs 49 percent H2SO4 and Toluene at temperature of 20 °C for 24 hours. The yield is 99 %.
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. It is also irritating to eyes, respiratory system and skin. Moreover, it is risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing and eye/face protection. Additionally, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. Please avoid release to the environment. And you should refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Cl-].C(CCCCCC[N+](CCCCCCCC)(CCCCCCCC)C)C
(2)InChI: InChI=1/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: XKBGEWXEAPTVCK-REWHXWOFAD
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LDLo | intraperitoneal | 10mg/kg (10mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | U.S. Army, Environmental Hygiene Agency Reports. Vol. 33-3-68/1971, |
mouse | LD50 | intraperitoneal | 3300ug/kg (3.3mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | U.S. Army, Environmental Hygiene Agency Reports. Vol. 33-3-68/1971, |
mouse | LD50 | oral | 280mg/kg (280mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | U.S. Army, Environmental Hygiene Agency Reports. Vol. 33-3-68/1971, |
rabbit | LDLo | intraperitoneal | 10mg/kg (10mg/kg) | U.S. Army, Environmental Hygiene Agency Reports. Vol. 33-3-68/1971, | |
rat | LD50 | intraperitoneal | 6600ug/kg (6.6mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | U.S. Army, Environmental Hygiene Agency Reports. Vol. 33-3-68/1971, |
rat | LD50 | oral | 223mg/kg (223mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | U.S. Army, Environmental Hygiene Agency Reports. Vol. 33-3-68/1971, |