Methyl trioctyl ammonium chloride supplier

Name
Methyl trioctyl ammonium chloride
EINECS 225-896-2
CAS No. 5137-55-3
Article Data9
CAS DataBase
Density 0.884 g/mL at 25 ºC
Solubility Partially insoluble
Melting Point -20 °C
Formula C₂₅H₅₄N^.Cl
Boiling Point 427.566 °C at 760 mmHg
Molecular Weight 404.163
Flash Point 210.404 °C
Transport Information UN 2810 6.1/PG 3
Appearance viscous colourless to pale orange liquid
Safety 26-39-60-61-36
Risk Codes 22-38-41-50/53-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn,N
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;
PSA 0.00000
LogP 5.51850

Synthetic route

: 1116-76-3
Tri-n-octylamine

: 77-78-1
dimethyl sulfate

: 5137-55-3
Aliquat 336

Conditions

Conditions	Yield
In toluene at 140℃; for 18h;	99%

: 111-85-3
1-Chlorooctane

: 119409-25-5
tri-n-octylmethylammonium fluoride

A: 463-11-6
1-Fluoro-octane

B: 5137-55-3
Aliquat 336

Conditions

Conditions	Yield
at 80℃; Rate constant; Kinetics; Thermodynamic data; activation energy;

...Expand

: 1116-76-3
Tri-n-octylamine

: 74-87-3
methylene chloride

: 5137-55-3
Aliquat 336

Conditions

Conditions	Yield
In acetonitrile at 50℃; for 24h;

: 5137-55-3
Aliquat 336

: 518-45-6
fluorescein free acid

: C20H11O5(1-)*C25H54N(1+)

Conditions

Conditions	Yield
With IRA-400(OH) resin In methanol at 20℃;	100%

: 5137-55-3
Aliquat 336

: 518-45-6
fluorescein free acid

: C20H10O5(2-)*2C25H54N(1+)

Conditions

Conditions	Yield
With Amberlite IRA-400(OH) resin In methanol at 20℃;	100%

: 5137-55-3
Aliquat 336

: methyl tri-n-octyl ammonium hydrogen sulfate

Conditions

Conditions	Yield
With sulfuric acid In toluene at 20℃; for 24h;	99%
With sulfuric acid In water

: C16H23O3(1-)

: 5137-55-3
Aliquat 336

: tri-n-octylmethylammonium (2-sec-octylphenoxy) acetate

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 60℃; for 2h; Large scale;	98.1%

: 55117-15-2
2-chloro-6 fluorobenzyl chloride

: 5137-55-3
Aliquat 336

: 443-72-1
N-methyladenine

: 70091-21-3
9-(2-chloro-6-fluorobenzyl)-6-methylaminopurine

Conditions

Conditions	Yield
With sodium hydroxide In acetone	98%

...Expand

: 5137-55-3
Aliquat 336

: 147-93-3
Thiosalicylic acid

: 1027004-61-0
tricaprylmethylammonium thiosalicylate

Conditions

Conditions	Yield
With sodium hydroxide at 60℃; for 4h;	98%
With sodium hydroxide In water at 40℃; for 4h; Inert atmosphere;	98%

: 121-34-6
3-methoxy-4-hydroxybenzoic acid

: 5137-55-3
Aliquat 336

: 1228997-37-2
tricaprylmethylammonium vanillate

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 40℃; for 24h; Inert atmosphere;	98%

: 5137-55-3
Aliquat 336

: trioctylmethylammonium hexafluorophosphate

Conditions

Conditions	Yield
With potassium hexafluorophosphate In water; butanone at 25℃; for 1h;	98%

: 651744-38-6
diethyl 3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate

: 5137-55-3
Aliquat 336

: 651744-39-7
diethyl 1-amino-3-(propan-2-yl)-1H-pyrrole-2,4-dicarboxylate

Conditions

Conditions	Yield
With ammonium hydroxide; sodium hypochlorite; ammonium chloride; sodium hydroxide In tert-butyl methyl ether; water at 20℃; for 72h;	98%

: 5137-55-3
Aliquat 336

: 65-85-0
benzoic acid

: 76312-51-1
tricaprylmethylammonium benzoate

Conditions

Conditions	Yield
With sodium hydroxide at 60℃; for 4h;	97%
With sodium hydroxide In ethanol; water at 60℃; for 5h; Inert atmosphere;	97%

: 5137-55-3
Aliquat 336

: 142-62-1
hexanoic acid

: tricaprylmethylammonium hexanoate

Conditions

Conditions	Yield
With sodium hydroxide at 60℃; for 4h;	97%

: 5137-55-3
Aliquat 336

: 3724-10-5
2-(methylthio)benzoic acid

: 1092451-42-7
tricaprylmethylammonium 2-(methylthio)benzoate

Conditions

Conditions	Yield
With sodium hydroxide In acetone at 20℃; for 48h; Inert atmosphere;	96%

: 5137-55-3
Aliquat 336

: tricaprylmethylammonium borohydride

Conditions

Conditions	Yield
With sodium hydroxide; sodium tetrahydroborate In water at 20℃;	95%

: 86119-84-8, 7664-38-2
phosphoric acid

: 5137-55-3
Aliquat 336

: ortho-tungstic acid

: tris(methyltri-n-octylammonium) tetrakis(oxodiperoxotungsto)phosphate

Conditions

Conditions	Yield
In dihydrogen peroxide; benzene mixing (50°C, 40 min); evapn.;	95%
Stage #1: ortho-tungstic acid With dihydrogen peroxide at 60℃; Stage #2: phosphoric acid; Aliquat 336 In dichloromethane; water

...Expand

: 103-04-8
(phenylthio)acetic acid

: 5137-55-3
Aliquat 336

: 1092451-43-8
tricaprylmethylammonium (phenylthio)acetate

Conditions

Conditions	Yield
With sodium hydroxide In water; acetonitrile at 60℃; for 24h; Inert atmosphere;	95%

: 5137-55-3
Aliquat 336

: 35675-80-0
methyl(tri-n-octyl)ammonium bromide

Conditions

Conditions	Yield
With potassium bromide In water for 3h;	95%

: 10213-10-2
sodium tungstate (VI) dihydrate

: 41226-64-6
diprop-2-en-1-yl pentanedioate

: 5137-55-3
Aliquat 336

: 133548-06-8
Diglycidyl Glutarate

Conditions

Conditions	Yield
With phosphoric acid; dihydrogen peroxide In water; toluene	94%

...Expand

: 16853-85-3
lithium aluminium tetrahydride

: 5137-55-3
Aliquat 336

: C25H54N(1+)*AlH4(1-)

Conditions

Conditions	Yield
at 50℃; for 2.66667h; Inert atmosphere; Reflux;	93.1%

: 146857-81-0
4-methylthiobenzaldehyde

: 37794-13-1
methyl 5-fluoro-2-methyl-1H-3-indenylacetate

: 5137-55-3
Aliquat 336

: 61812-45-1
sulindac sulfide

Conditions

Conditions	Yield
With hydrogenchloride In water; toluene	92%

...Expand

: 54-21-7
sodium salicylate

: 5137-55-3
Aliquat 336

: 82534-59-6
tricaprylmethylammonium salicylate

Conditions

Conditions	Yield
In water; acetone at 20℃; for 24h; Inert atmosphere;	91%

: 5137-55-3
Aliquat 336

: methyltrioctylammonium hydroxide

Conditions

Conditions	Yield
Stage #1: Aliquat 336 With sodium; isopropyl alcohol at 50℃; for 4h; Stage #2: With water for 1h;	91%
With Amberlite IRA-400-OH In methanol
With sodium hydroxide In water
With sodium hydroxide In chloroform
With sodium hydroxide In chloroform; water for 1h;

: 95-46-5
2-methylphenyl bromide

: 100379-00-8
2,6-dimethylbenzene boronic acid

: 5137-55-3
Aliquat 336

: 76708-74-2
2’,2,4-trimethylbiphenyl

Conditions

Conditions	Yield
With palladium diacetate In water; toluene	91%

...Expand

: 5137-55-3
Aliquat 336

: 35675-86-6
tri(octyl)-methylammonium iodide

Conditions

Conditions	Yield
With potassium iodide In water for 3h;	90.1%

: N-cyano-N'-methyl-N"-(1-chloroethyl)guanidine

: 5137-55-3
Aliquat 336

: 70826-45-8
5-methyl-4-mercaptomethylimidazole hydrochloride

: 270574-63-5, 785731-92-2, 752934-25-1, 51481-61-9, 76181-71-0
N-cyano-N'-methyl-N''-{2-[(4-methyl-5-imidazolyl)-methylthio]-ethyl}guanidine

Conditions

Conditions	Yield
With sodium hydroxide In methanol; isopropyl alcohol	90%

...Expand

: 143-66-8
sodium tetraphenyl borate

: 5137-55-3
Aliquat 336

: tricaprylmethylammonium tetraphenylborate

Conditions

Conditions	Yield
In water; acetone at 20℃; for 12h; Inert atmosphere;	90%

: 93-65-2
(RS)-2-(4-chloro-o-tolyloxy)propionic acid

: 5137-55-3
Aliquat 336

: 1354726-06-9
trioctylmethylammonium (+/-)-2-(4-chloro-2-methylphenoxy)propionate

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 2h;	90%

: 6287-90-7
11-bromo-undecanoic acid methyl ester

: 5137-55-3
Aliquat 336

: 507-09-5
thioacetic acid

: methyl 11-thioacetylundecanoate

Conditions

Conditions	Yield
With caesium carbonate In dichloromethane; water	89%

...Expand

: 5137-55-3
Aliquat 336

: 6462-50-6
sodium 4-methoxybenzenesulfinate

: 4370-22-3
2-chloromethyl 3-methyl pyridine hydrochloride

: 4-methoxy benzenesulfonyl 2-methyl 3-methyl pyridine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water; toluene	85.2%

...Expand

: 10213-10-2
sodium tungstate (VI) dihydrate

: 1026-92-2
diallyl terephthalate

: 5137-55-3
Aliquat 336

: 7195-44-0
terephthalic acid diglycidyl ester

Conditions

Conditions	Yield
With phosphoric acid; dihydrogen peroxide In water; toluene	85%

...Expand

Methyl trioctyl ammonium chloride Consensus Reports

Structure of Methyl trioctyl ammonium chloride(5137-55-3) is reported in EPA TSCA Inventory.

Methyl trioctyl ammonium chloride Specification

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 H₂SO₄and 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,

Product Name

Methyl trioctyl ammonium chloride

Synthetic route

Methyl trioctyl ammonium chloride Consensus Reports

Methyl trioctyl ammonium chloride Specification

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