Benzyldimethyltetradecylammonium chloride
Product Information
Molecular Formula
C23H42ClN
Molecular Weight
368.039
Description
One of the impurities of Zephirol, a quaternary ammonium compound, has been found to be effective in the treatment of herpes, hepatitis and other infections.
Synonyms
TDBAC; 1427; barquatmb50; barquatms100; arquaddm14b-90
IUPAC Name
benzyl-dimethyl-tetradecylazanium;chloride
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H31H/q+1/p-1
InChI Key
OCBHHZMJRVXXQK-UHFFFAOYSA-M
Melting Point
56-62°C
Purity
0.99
Solubility
Solubility in water: >1,000 mg/L /Alkyl(C=10-14) benzyldimethylammonium chloride/
Appearance
White powder
Application
Used as a surfactant, detergent, deodorizer, and germicide/biocide (food products and services, industrial plants, hospitals, farms, swimming pools, and cooling towers); Also used as a medication; Also used as a wood preservative.
Storage
2-8°C
Stability
Stable under recommended storage conditions.
LogP
3.9681
Vapor Pressure
3.6X10-10 mm Hg at 25 °C (est)
Henry's Law Constant
1.3X10-11 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride.
Safety Information
Hazards
H301:
Toxic if swallowed.
H312+H332:
Harmful in contact with skin.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H400:
Very toxic to aquatic life.
Toxic if swallowed.
H312+H332:
Harmful in contact with skin.
Harmful if inhaled.
H314:
Causes severe skin burns and eye damage.
H400:
Very toxic to aquatic life.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P391:
Collect spillage.
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P391:
Collect spillage.
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
15
Exact Mass
367.3005780 g/mol
Monoisotopic Mass
367.3005780 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
265
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113980467-A | Conductive composite PPS material and preparation method thereof | 2021-12-17 |
| CN-114083865-A | Polyester film for five-layer dry film resist and preparation method thereof | 2021-12-04 |
| CN-113980751-A | Washable long-acting antibacterial fabric care agent composition | 2021-11-22 |
| CN-113980749-A | Liquid detergent composition | 2021-11-19 |
| CN-113698998-A | Stable detergent composition with antibacterial effect | 2021-09-26 |
| CN-113789669-A | Washable cold-proof breathable fabric and preparation method thereof | 2021-09-17 |
| DE-102021124147-A1 | Synthetic resin material and method for producing a milling blank for medical-technical molded parts | 2021-09-17 |
| CN-113984912-A | Method for detecting benzalkonium chloride in disinfection product | 2021-09-02 |
| CN-113666680-A | Concrete slurry and preparation method thereof | 2021-08-31 |
| CN-113813287-A | Preparation method of compound medicinal liquid for treating verruca vulgaris | 2021-08-27 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22563942 | 2012-08-01 | The influence of nonconjugative Escherichia coli plasmids on biofilm formation and resistance | Journal of applied microbiology |
| 21195609 | 2011-02-01 | Biosorption of tetradecyl benzyl dimethyl ammonium chloride on activated sludge: kinetic, thermodynamic and reaction mechanisms | Bioresource technology |
| 21628907 | 2011-01-01 | Spectrophotometric determination of cobalt(II) and cyanocobalamin with vanillilfluorone and its applications | Chemical & pharmaceutical bulletin |
| 20631439 | 2010-01-01 | Collection of indonaphthol blue on a membrane filter for the spectrophotometric determination of ammonia with 1-naphthol and dichloroisocyanurate | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
| 19877666 | 2009-11-26 | Molecular mechanism and chemical kinetic description of nitrobenzene liquid membrane oscillator containing benzyldimethyltetradecylammonium chloride surfactant | The journal of physical chemistry. B |
| 18297187 | 2008-04-01 | Intrinsic denervation of the colon is associated with a decrease of some colonic preneoplastic markers in rats treated with a chemical carcinogen | Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas |
| 16959536 | 2007-06-01 | Study of the sensitization of tetradecyl benzyl dimethyl ammonium chloride for the color development reaction between lysine and sodium 1,2-naphthoquinone-4-sulfonate and the determination of lysine in pharmaceutical and biological samples | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 17112660 | 2007-06-01 | Removal of phenol and 4-chlorophenol by surfactant-modified natural zeolite | Journal of hazardous materials |
| 17386539 | 2007-01-30 | Study of the sensitization of tetradecyl benzyl dimethyl ammonium chloride for spectrophotometric determination of dopamine hydrochloride using sodium 1,2-naphthoquinone-4-sulfonate as the chemical derivative chromogenic reagent | Analytica chimica acta |
| 16856758 | 2006-05-01 | Determination of a cationic surfactant with naphthalene black 12B by the resonance light scattering technique | Annali di chimica |
