Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride

496.28

495.387451

248-595-8

IQ36O85WQ4

DTXSID4035542

Pale yellow to off white light brown liquid

2931900090

27.7

4.90 (est)

Clear yellow Solution

0.890 g/cm³

22.3 °C

93 °F

n20/D 1.3889

Solubility in water: reaction

Flammables area

5.8X10-14 mm Hg at 25 deg C (est)

Characteristic silane odor

Henry's Law constant = 1.1X10-12 atm-cu m/mole (est)

As a cationic quaternary ammonium salt, it will completely ionize in an aqueous solution

Soluble, but not stable in water /Trimethoxysilyl quats/|Hydroxyl radical reaction rate constant = 5.2X10-11 cu cm/molec-sec at 25 °C (est)

II

3.1

UN 1992 3/PG 2

2

11-23/24/25-36/38-39/23/24/25-36/37/38-10-20/21/22-36

16-26-36/37-45-7-37/39

T,F,Xn

P210-P260-P280-P301 + P310-P305 + P351 + P338-P311

H225-H301 + H311 + H331-H319-H370

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

USEPA/Office of Prevention, Pesticides and Toxic Substances; Reregistration Eligibility Decision Document - Trimethoxysilyl Quarternary Ammonium Chloride Compounds EPA 739-R-07-007 (September 2007). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the USA.[Available from, as of April 4, 2016: http://www.epa.gov/pesticides/reregistration/status.htm]

|Danger|H225 (43.22%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P281, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 125 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Eye Irritation: Severe Ocular Toxicity /Trimethoxysilyl Quats/|Dermal Irritation: Severe dermal toxicity /Trimethoxysilyl Quats/

IDENTIFICATION AND USE: 3-(Trimethoxysilyl)propyldimethyloctadecylammonium (Trimethoxysilyl quat) is registered for pesticide use in the USA. Trimethoxysilyl quat containing products are currently used as a material preservative treatment for materials such as those used in human clothing and bedding, carpets and upholstery. The trimethoxysilyl quats are used as surface treatments in household areas and bathroom areas. These products are also used in the manufacturing of paints, coatings, and in concrete. HUMAN EXPOSURE AND TOXICITY: There are no data avalable. ANIMAL STUDIES: Severe dermal irritation in rabbit, and severe ocular toxicity in rat. Oral administration as high as 1000 mg/kg/day did not produce teratogenicity or other indications of developmental toxicity in the rat conceptus. Trimethoxysilyl Quats were not mutagenic in the In-vitro Reverse Mutation Assay, or In-vitro Forward Mutation Assay in Salmonella, and E-coli. It did not induce structural chromosome aberrations in Chinese hamster cells, and it was negative in mouse micronucleus test.

LD50 Rabbit dermal >2000 mg/kg /Trimethoxysilyl Quats/|LD50 Rat oral >5000 mg/kg /Trimethoxysilyl Quats/|LC50 Rat inhalation >2.0 mg/L (1 hr) /Trimethoxysilyl Quats/

3-(Trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride's production and use as a material preservative treatment for materials such as human clothing, bedding, carpets and upholstery(1) may result in its release to the environment through various waste streams; its use as a bacteriastatic, algaestatic and fungistatic compound(1) will result in its direct release to the environment(SRC).

TERRESTRIAL FATE: As a cationic quaternary ammonium salt, 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride will completely ionize in water at environmental pHs. The silyl portion of the molecule will become part of the soil and sediment matrices because of their high silica content(1). In water, it hydrolyzes rapidly and the hydrolytic cationic portion of the molecule (quaternary ammonium) will sorb readily to soil and sediment due to opposite electrical charges(1). Volatilization of 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride from moist soil surfaces is not expected to be an important fate process(SRC) given the compound will exist in ionic form and it hydrolyzes readily(1). 3-(Trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.8X10-14 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). Biodegradation data in soil were not available(SRC, 2016).|AQUATIC FATE: As a cationic quaternary ammonium salt, 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride will completely ionize in an aqueous solution(1). 3-(Trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride hydrolyzes rapidly in water with a half-life of <1 hour(1). Volatilization of 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride from water surfaces is not expected to be an important fate process(SRC) given the compound will exist in ionic form and it hydrolyzes readily(1). In water, 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride hydrolyzes rapidly(1) which will attenuate any bioconcentration of the parent compound. The trimethoxysilyl quats are not expected to contaminate surface or ground water due to rapid degradation by hydrolysis(2).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride, which has an estimated vapor pressure of 5.8X10-14 mm Hg at 25 °C((SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride may be removed from the air by wet and dry deposition(SRC). 3-(Trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

3-(Trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride hydrolyzes rapidly in water(1). In water, the trimethoxysilyl quaternary ammonium compounds (QACs) degrade quickly to the quaternary amine portion (active and soluble) and the other silyl portion (inactive and insoluble) with half-lives <1 hour(1). On contact with water, the methoxy groups attached to the silicon atom in the 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride molecule react in a stepwise manner to form silanols(2). The silanol moieties are very reactive and can react through a condensation type reaction to form a variety of polymers(2). 3-(Trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride does not contain chromophores that absorb at wavelengths >290 nm(1) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

In water, 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride hydrolyzes rapidly(1) which will attenuate any bioconcentration of the parent compound(SRC).

As a cationic quaternary ammonium salt, 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride will completely ionize in water at environmental pH. In water, it hydrolyzes rapidly and the hydrolytic cationic portion of the molecule (quaternary ammonium) will sorb readily to soil and sediment due to opposite electrical charges. The silyl portion of the molecule will become part of the soil and sediment matrices because of their high silica content(1).

As a cationic quaternary ammonium salt, 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride will completely ionize in an aqueous solution(1). Since ions do not volatilize, the compound is expected to be essentially nonvolatile from water surfaces and moist soil(SRC). In addition, 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride hydrolyzes rapidly in water(1) which would attenuate the importance of volatilization from water if it was occurring(SRC). 3-(Trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.8X10-14 mm Hg(SRC), determined from a fragment constant method(2).

According to the 2012 TSCA Inventory Update Reporting data, 2 reporting facilities estimate the number of persons reasonably likely to be exposed during the manufacturing, processing, or use of 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride in the United States may be as low as <10 workers and as high as <10 workers per plant; the data may be greatly underestimated due to confidential business information (CBI) or unknown values(1).|Occupational exposure to 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride may occur through inhalation (e.g. spray application) and dermal contact with this compound at workplaces where 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride is produced or used(1). Use data indicate that the general population may be exposed to 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride via dermal contact with consumer products containing 3-(trimethyoxylsilyl)propyl dimethyl octadecyl ammonium chloride(SRC).

The percutaneous absorption of an organosilicon quaternary ammonium chloride ((14)C)-3-(trimethoxysilyl)-propyldimethyloctadecyl ammonium chloride (14C-Si-QAC) was studied in rabbits. Aqueous solution of (14)C-Si-QAC was either applied to the intact, clipped back of animals for 10 days or administered by a single intravenous dose. Urine and feces were collected at 24-hr intervals and tissue concentration of radioactivity was determined at the end of the 10-day study period. Elimination of (14)C-Si-QAC after parenteral administration was slow and occurred by both urine and feces (13.5% in urine and 20% in feces). No radioactivity was found in the urine of dermally treated animals. Tissue concentrations of (14)C were highest in the liver, lung and kidneys after i.v. administration. None was detected in tissues of dermally treated animals. The results showed that the absorption of (14)C-Si-QAC through the skin of the rabbit was essentially zero. The potential absorption hazard of the use of this antimicrobial agent in contact with the skin is therefore considered to be insignificant.

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

3-(trimethoxysilyl)propyldimethyloctadecylammonium

Trimethoxysilyl quats are formulated as a soluble concentrate for both manufacturing and end use products and as a ready to use solution for end use products.|Miltrol (W.M. Barr & Company, Inc.): Active ingredient: 1-octadecanaminium, N,N-dimethyl-N-(3-(trimethoxysilyl)propyl)-, chloride 0.5%.|Ztrex 72 Antimicrobial Agent MUP (Piedmont Chemical Industries 1, LLC): Active ingredient: 1-octadecanaminium, N,N-dimethyl-N-(3-(trimethoxysilyl)propyl)-, chloride 72.0%.|Envirosystems Bioshield 7200 (Indusco Ltd.): Active ingredient: 1-octadecanaminium, N,N-dimethyl-N-(3-(trimethoxysilyl)propyl)-, chloride 71.2%.|For more Formulations/Preparations (Complete) data for 3-(Trimethoxysilyl)propyl dimethyl octadecyl ammonium chloride (37 total), please visit the HSDB record page.

All other basic organic chemical manufacturing|1-Octadecanaminium, N,N-dimethyl-N-[3-(trimethoxysilyl)propyl]-, chloride (1:1): ACTIVE