Hexadecyltrimethylammonium chloride

320

319.30100

203-928-6

UC9PE95IBP

3082

DTXSID6026901|DTXSID2029402

29239000

0

log Kow= 3.23

White Amorphous Powder

0.88 g/cm³ @ Temp: 60 °C

70 °C

180° F at 760 mm Hg (isopropyl alcohol) (USCG, 1999)

69° F (USCG, 1999)

n20/D 1.3778

Water solubility: 440 mg/l at 30 deg C

-196°C

IN AIR: 2%-12% /ISOPROPYL ALCOHOL SOLN OF CETYLTRIMETHYLAMMONIUM CHLORIDE/

CLEAR TO PALE YELLOW LIQUID; RUBBING ALCOHOL ODOR /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/

No rapid reaction with air. No rapid reaction with water.

Non-Redox-Active Inorganic Compounds

HEXADECYLTRIMETHYLAMMONIUM CHLORIDE is a quaternary ammonium compound. Therefore it has a permanently charged nitrogen atom with four alkyl or aryl groups on it. Compounds in this group are generally soluble in water and are near pH 7 (neutral). They do not undergo the acid-base reactions typical of primary, secondary, or tertiary ammonium ions. Quaternary ammonium salts often serve as catalysts in reactions. They are incompatible with many strong oxidizers and reducing agents, such as metal hydrides, alkali/active metals, and organometallics.

750 °F (USCG, 1999)|750 °F /ISOPROPYL ALCOHOL SOLN OF CETYLTRIMETHYLAMMONIUM CHLORIDE/

IN AIR: 2%-12% /ISOPROPYL ALCOHOL SOLN OF CETYLTRIMETHYLAMMONIUM CHLORIDE/

Ⅲ

8

UN 3082 9/PG 3

3

38-41-50-50/53-37/38-22-43-36/37/38

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

ML9145000

Xi,N,Xn

Stable at room temperature in closed containers under normal storage and handling conditions.

P280-P305 + P351 + P338 + P310

H315-H318-H400

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Special Hazards of Combustion Products: Irritating fumes of hydrogen chloride may form in fires. Behavior in Fire: Solvent vapors are heavier than air and may travel to a source of ignition and flash back. (USCG, 1999)

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P391, P405, and P501|Aggregated GHS information provided by 9 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225 (13.83%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1133 companies from 38 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Warning|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent dust cloud. Avoid inhalation of asbestos dust. SMALL DRY SPILL: With clean shovel, place material into clean, dry container and cover loosely; move containers from spill area. SMALL SPILL: Pick up with sand or other non-combustible absorbent material and place into containers for later disposal. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Cover powder spill with plastic sheet or tarp to minimize spreading. Prevent entry into waterways, sewers, basements or confined areas. (ERG, 2016)

Goggles or face shield; rubber gloves (USCG, 1999)|GOGGLES OR FACE SHIELD; RUBBER GLOVES. /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/

VAPOR MAY EXPLODE IF IGNITED IN AN ENCLOSED AREA. /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/

...DRY CHEM, /ALCOHOL/ FOAM, OR CARBON DIOXIDE. WATER MAY BE INEFFECTIVE ON FIRE. COOL EXPOSED CONTAINERS WITH WATER. /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/

FLASHBACK VAPOR ALONG VAPOR TRAIL MAY OCCUR. /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

VAPOR IRRITATING TO EYES, NOSE AND THROAT.|VAPOR IRRITATING TO EYES, NOSE AND THROAT. HARMFUL IF INHALED. LIQUID IRRITATING TO SKIN AND EYES. HARMFUL IF SWALLOWED. /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/

LD50 Mouse iv 325 mg/kg

Trimethylhexadecylammonium chloride's production and use as a coagulant (antibiotic production), conditioning agent (hair products), antistatic agent (textile spin finishes), and softening agent (textile finishes)(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2.2X10+5(SRC), determined from a structure estimation method(2), indicates that trimethylhexadecylammonium chloride is expected to be immobile in soil(SRC). Volatilization of trimethylhexadecylammonium chloride from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.9X10-10 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Trimethylhexadecylammonium chloride is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.8X10-10 mm Hg(SRC), determined from a fragment constant method(4).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2.2X10+5(SRC), determined from an estimation method(2), indicates that trimethylhexadecylammonium chloride is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.9X10-10 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 71(SRC), from its log Kow of 3.23(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate. The MITI, closed bottle, and Sturm tests revealed no degradation after 10 days, microbial growth after 17 days, and 84% degradation after 13 days, respectively(8). 10-20 ppm trimethylhexadecylammonium chloride was degraded with a half-life of 3.1 days in freshwater collected from the Ohio river 1 mile below discharge from a municipal treatment plant at 20 °C and pH 6.9(9).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), trimethylhexadecylammonium chloride, which has an estimated vapor pressure of 2.8X10-10 mm Hg at 25 °C(SRC), using a fragment constant estimation method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase trimethylhexadecylammonium chloride may be removed from the air by wet and dry deposition(SRC).

The rate constant for the vapor-phase reaction of trimethylhexadecylammonium chloride with photochemically-produced hydroxyl radicals has been estimated as 3.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 11 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Trimethylhexadecylammonium chloride is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2) nor to directly photolyze due to the lack of absorption in the environmental UV spectrum (>290 nm).

An estimated BCF of 71 was calculated for trimethylhexadecylammonium chloride(SRC), using an estimated log Kow of 3.23(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for trimethylhexadecylammonium chloride can be estimated to be 2.2X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that trimethylhexadecylammonium chloride is expected to immobile in soil.

The Henry's Law constant for trimethylhexadecylammonium chloride is estimated as 2.9X10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that trimethylhexadecylammonium chloride is expected to be essentially nonvolatile from water surfaces(2). Trimethylhexadecylammonium chloride's estimated Henry's Law constant(1) indicates that volatilization from moist soil surfaces will not occur(SRC). Trimethylhexadecylammonium chloride is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.8X10-10 mm Hg(SRC), determined from a fragment constant method(3).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 16,226 workers (13,148 of these are female) are potentially exposed to trimethylhexadecylammonium chloride in the US(1). Occupational exposure to trimethylhexadecylammonium chloride may occur through dermal contact with this compound at workplaces where trimethylhexadecylammonium chloride is produced or used(SRC). The general population may be exposed to trimethylhexadecylammonium chloride due to the use of consumer products containing trimethylhexadecylammonium chloride(SRC).

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)

Ingestion may produce toxic effects. Contact with eyes or skin may cause severe damage. (USCG, 1999)

INGESTION: do NOT induce vomiting; drink large quanities of fluid and call a physician immediately. EYES: flush with water for at least 15 min. and call a physician. SKIN: flush with water. (USCG, 1999)

VAPOR IRRITATING TO EYES, NOSE AND THROAT. HARMFUL IF INHALED. LIQUID IRRITATING TO SKIN AND EYES. HARMFUL IF SWALLOWED. /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/|Poison by intravenous route.

1-hexadecyltrimethylammonium chloride

25% SOLN IN WATER; 50% SOLN IN MIXT OF ISOPROPYL ALCOHOL AND WATER... /CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN/|COMPD CONTAINING A QUATERNARY NH4+ SALT SUCH AS ARQUAD 16/50 AND GREATER THAN 10% OF AN AMPHIPHILIC COMPD SUCH AS CIRRASOL STERILIZE DISPERSIONS OF A SOLID, WATER INSOL FUNGICIDE SUCH AS CAPTAN AN CAPTAFOL IN A SOLN OF A FUNGICIDAL PYRIMIDINE SALT SUCH AS ETHIRIMOL @ A PH 1-1.5.|Available as a 25% or 50% soluble in water

All other chemical product and preparation manufacturing|1-Hexadecanaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE|Quaternary ammonium compounds, C14-18-alkyltrimethyl, chlorides: ACTIVE|THE PROPERTIES AND USES OF QUATERNARY AMMONIUM COMPD IN COSMETICS, AND ESP IN PRODUCTS FOR THE HAIR, ARE DISCUSSED.

ASCENDING THIN-LAYER CHROMATOGRAPHY WAS USED TO SEPARATE AND IDENTIFY SURFACTANTS. FLUOROMETRY AND IR SPECTROMETRY WERE USED FOR FURTHER IDENTIFICATION.|LOW RESOLUTION MASS SPECTROMETRY WAS USED TO IDENTIFY THE MAJOR COMPONENTS FROM THERMAL DECOMP OF 4 QUATERNARY AMMONIUM COMPD WITH GERMICIDE AND ANTISEPTIC ACTIVITY. SMALL AMOUNTS OF AMMONIUM SALTS WERE QUICKLY HEATED IN A CURIE-POINT PYROLYZER @ A GAS CHROMATOGRAPHY INLET. THE MIXT OF DECOMP GASES WERE THEN ANALYZED BY GAS CHROMATOGRAPHY-MASS SPECTROMETRY.|A METHOD IS DESCRIBED FOR THE DETERMINATION OF CATIONIC SURFACTANTS, SUC AS CETYLTRIMETHYLAMMONIUM CHLORIDE, IN BIODEGRADATION TEST LIQUORS AND EFFLUENTS CONTAINING ANIONIC SURFACTANTS AND OTHER COMPONENTS WHICH INTERFERE WITH EXISTING COLORIMETRIC PROCEDURES.

Cosmetics -> Preservative