Dodecyldimethylbenzylammonium chloride Chemical Properties

Melting point:

~60 °C

Boiling point:

162.7℃[at 101 325 Pa]

Density 

1.03[at 20℃]

vapor pressure 

0Pa at 20℃

storage temp. 

Sealed in dry,Room Temperature

solubility 

866g/L in organic solvents at 20 ℃

form 

Solid

color 

White to Off-White

Water Solubility 

2g/L at 20℃

BRN 

3921689

Stability:

Hygroscopic

InChI

InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

InChIKey

JBIROUFYLSSYDX-UHFFFAOYSA-M

SMILES

C1(=CC=CC=C1)C[N+](C)(C)CCCCCCCCCCCC.[Cl-]

LogP

2.63

CAS DataBase Reference

139-07-1(CAS DataBase Reference)

EPA Substance Registry System

Dodecyl dimethyl benzyl ammonium chloride (139-07-1)

Safety Information

Hazard Codes 

C,N

Risk Statements 

21/22-34-50-50/53

Safety Statements 

36/37/39-45-61-60-26

RIDADR 

UN 3261 8/PG 3

WGK Germany 

2

RTECS 

BO6821500

F 

3-10

TSCA 

Yes

HazardClass 

8

PackingGroup 

III

HS Code 

29239000

Toxicity

LD50 oral in rat: 400mg/kg

MSDS

• Language:English Provider:SigmaAldrich

Dodecyldimethylbenzylammonium chloride Usage And Synthesis

Chemical Properties

White fine crystalline powder

Uses

Benzyldimethyldodecylammonium chloride, a quaternary ammonium compound (QAC), is a cationic surfactant that shows antimicrobial activity against Gram-negative bacterium Pseudomonas fluorescens. It can be used as a:

• corrosion inhibitor.
• synergist to increase the toxicity of the pesticide, indoxacarb against various pests.
• model for benzyltrialkylammonium salts to study the thermal degradation pathway of benzyl QACs.

Uses

Quaternary ammonium composition to treat herpes, pseudomonas, staph, hepatitis and other infectious diseases.

Definition

ChEBI: Benzododecinium chloride is the organic chloride salt of benzododecinium. It has antiseptic and disinfectant properties, and used as a preservative in eye drop formulations. It has a role as an antiseptic drug, a disinfectant, an antifouling biocide and a surfactant. It is a quaternary ammonium salt and an organic chloride salt. It contains a benzododecinium.

Flammability and Explosibility

Not classified

Synthesis

General method: Dodecyldimethylbenzyl ammonium chloride is synthesized by aqueous phase alkylation reaction using dodecyldimethyl tertiary amine and benzyl chloride as raw materials. The specific steps are as follows: Dodecyldimethyl tertiary amine (6 mmol) and benzyl chloride (6 mmol) are dissolved in water (2-3 mL), and the mixture formed is stirred and reacted at 60-95°C for 0.3-4 hours. Upon completion of the reaction, the solvent was removed by vacuum evaporation. The resulting residue was purified by silica gel column chromatography using chloroform-methanol (10:1, v/v) as eluent or further purified by recrystallization methods. The specific reaction conditions, yields and physicochemical parameters of the quaternary ammonium compounds 1a-g, 2a-c and 5a-c are detailed in Table 3. 1H NMR spectral data of the products are listed in Table 5.

References

[1] Russian Chemical Bulletin, 2014, vol. 63, # 11, p. 2445 - 2454
[2] Izv. Akad. Nauk, Ser. Khim., 2014, # 11, p. 2445 - 2454
[3] Yakugaku Zasshi, 1943, vol. 63, p. 589
[4] Chem.Abstr., 1951, p. 5100
[5] Journal of Colloid Science, 1946, vol. 1, p. 385

Dodecyldimethylbenzylammonium chloride(139-07-1)Related Product Information

• Dodecylethyldimethylammonium bromide
• DDHL
• Benzyldodecyldimethylammonium Chloride Dihydrate
• Dodecyltrimethylammonium chloride
• TRIETHANOLAMMONIUM DODECYLBENZENE SULFONATE
• DODECANEDIOIC ACID MONOMETHYL ESTER
• Sodium dodecylbenzenesulphonate
• Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate
• dodecylbenzenesulphonic acid, compound with isopropylamine (1:1)
• dodecylbis(2-hydroxyethyl)methylammonium chloride
• DODECYLBENZENE SODIUM SULFONATE
• SODIUM DODECYL DIPHENYL ETHER DISULFONATE
• CETYLDIMETHYLETHYLAMMONIUM BROMIDE
• (hexadecylamidopropyl)trimethylammonium chloride
• LDAO
• Sodium dodecyl sulfate
• N-DODECYL-B-IMINODIPROPIONIC ACID, DISODIUM SALT
• MONO-N-DODECYL PHOSPHATE