CAS No.122-19-0,Stearyldimethylbenzylammonium chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122-19-0
Name:	Stearyldimethylbenzylammonium chloride
Article Data:	11

Formula:	C₂₇H₅₀ClN
Molecular Weight:	424.154
Synonyms:	Ammonium,benzyldimethyloctadecyl-, chloride (8CI);Benzenemethanaminium,N,N-dimethyl-N-octadecyl-, chloride (9CI);Benzyldimethyloctadecylammoniumchloride (6CI);Arquad DM 18B90;Benzyloctadecyldimethylammonium chloride;Benzylstearyldimethylammonium chloride;Carsoquat SDQ 25;Carsoquat SDQ 85;Catinal OB 80E;DC(leveling agent);Dimethylstearylbenzylammoniumchloride;Dodigen 1828;Incroquat S 85;Incroquat SDQ 25;Larostat HTS 905;Mackernium SDC 25;Mackernium SDC 85;Nissan Cation S2-100;ODBAC 1827;Octadecyldimethylbenzylammonium chloride;Orthosan MB;Quaternol 1;SDQ 25;SDQ 85;Stearalkonium chloride;Stebac;Stedbac;Swanol CA 1485;Triton CG 500;Triton X 400;Varisoft SDC 85;
EINECS:	204-527-9
Density:	0.98 g/cm³
Melting Point:	54-56oC
Boiling Point:	100oC
Flash Point:	94oC
Solubility:	4000 g/L (20 °C) in water
Appearance:	White solid or thick liquid with a mild odor
Hazard Symbols:	C,N
Risk Codes:	22-38-41-50-34-21/22
Safety:	26-36/37/39-61-45
PSA:	0.00000
LogP:	5.52850

Synthetic route

: 124-28-7
N,N-dimethyl-n-octadecylamine

: 100-44-7
benzyl chloride

: 122-19-0
benzalkonium chloride

: 112-92-5
1-octadecanol

alkali alkylate: alkali alkylate

: 122-19-0
benzalkonium chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: zinc chloride, hydrogen chloride / 140 °C 2: H2O / 140 - 150 °C 3: H2O / 60 - 65 °C View Scheme

: 3386-33-2
1-chlorooctadecane

: 122-19-0
benzalkonium chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2O / 140 - 150 °C 2: H2O / 60 - 65 °C View Scheme

: 122-19-0
benzalkonium chloride

: 65180-43-0
N,N-Dimethyl-N-sulfobenzyl-N-octadecylammonium

Conditions

Conditions	Yield
With chlorosulfonic acid at 50 - 60℃; under 1500.15 Torr; Temperature; Large scale;	99.74%

: 122-19-0
benzalkonium chloride

: 84864-61-9
rac-Potassium mandelate

: benzyldimethyloctadecylammonium mandelate

Conditions

Conditions	Yield
In water at 60℃; for 6h;	98%

: C34H64O11

: 122-19-0
benzalkonium chloride

: C27H50N(1+)*C34H63O11(1-)

Conditions

Conditions	Yield
With potassium hydroxide In water pH=7;

: 768296-31-7
Dicyanoargentat(I) (1-)

: 122-19-0
benzalkonium chloride

: N,N-dimethyl N-benzyl N-octadecyl ammonium dicyano argentate (I)

Conditions

Conditions	Yield
In water slow addition of a solution of a dicyano argentate in H2O under stirring to an equimolar solution of the ammonium chloride in H2O;; precipitation, washing with H2O and crystallization within 2 days on storing; drying in vacuum;;

Raw Materials

3386-33-2

124-28-7

112-92-5

100-44-7

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Dimethyloctadecylbenzylammonium chloride is benzyl-dimethyl-octadecylazanium chloride. With the CAS registry number 122-19-0, it is also named as Stearyl dimethyl benzyl ammonium chloride. The product's categoriesare Hair Care; Home Care; Ammonium Chlorides (Quaternary); Aromatic Quaternary Ammonium Salts (Surfactants); Cationic Surfactants; Functional Materials; Quaternary Ammonium Compounds; Surfactants. It is white solid or thick liquid with a mild odor which is soluble in water, resistant to acid, hard water, inorganic salt, and non-resistant to alkali. Additionally, this chemical should be stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.28; (4)ACD/LogD (pH 7.4): 4.28; (5)ACD/BCF (pH 5.5): 1053.58; (6)ACD/BCF (pH 7.4): 1053.58; (7)ACD/KOC (pH 5.5): 5072.53; (8)ACD/KOC (pH 7.4): 5072.53; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 19; (12)Rotatable Bond Count: 19; (13)Exact Mass: 423.363178; (14)MonoIsotopic Mass: 423.363178; (15)Topological Polar Surface Area: 0; (16)Heavy Atom Count: 29; (17)Complexity: 316.

Preparation of Dimethyloctadecylbenzylammonium chloride: It can be obtained by dimethyloctadecylamine and benzyl chloride. Adding 450 kg dimethyloctadecylamine to reactor and heating to 80～85°C. Adding 180kg benzyl chloride slowly within the 1.5-2h at the temperature of 80-90 °C. Finished, heating to 100-105 °C. When the pH is 6-6.5, the reaction is finished. Wecan get 600kg product.

Uses of Dimethyloctadecylbenzylammonium chloride: It is mainly used as grease thickening agent, medicine fungicide, textile wetting agent, finishing agent, softener, antistatic agent and so on. It is also used in hair care formulations, as a hair conditioner and cream rinse.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation and in contact with skin, but also has risk of serious damage to the eyes. Besides, it is very toxic to aquatic organisms. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) So people should avoid release it to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].c1ccccc1C[N+](C)(CCCCCCCCCCCCCCCCCC)C
2. InChI:InChI=1/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	500mg/kg (500mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(8), Pg. 90, 1984.
mouse	LD50	oral	760mg/kg (760mg/kg)		Journal of the American College of Toxicology. Vol. 1(2), Pg. 57, 1982.
rat	LD50	oral	1250mg/kg (1250mg/kg)		Journal of the American College of Toxicology. Vol. 1(2), Pg. 57, 1982.