1,1,1-Trichloropropanone

161.406

161.41

NW27ZG5LDA

2645

DTXSID5021679

2914700090

17.1

1.12 (est)

colorless liquid

1.4389 g/cm³ @ Temp: 17.1 °C

149 °C

64°C

1.467

In water, 7.45X10+3 mg/L at 25 deg C (est)

4.2 mm Hg at 25 deg C (est)

mic-bac-sat 359 mg/plate MUREAV 155,53,85

Organoleptic taste in water

Henry's Law constant = 2.17X10-6 atm-cu m/mole at 25 °C (est)

Hydroxyl radical reaction rate constant = 1.5X10-14 cu cm/molec-sec at 25 °C (est)

R20/21/22

S26-S36/37/39

UC3839000

T+:Verytoxic;N:Dangerous for the environment;

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. 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 soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

|Warning|H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,1,1-Trichloroacetone was identified but not quantified in a kraft mill during the acid filtrate stage of elemental chlorine-free bleaching (ECF) of softwood pulp(1). 1,1,1-Trichloroacetone was detected in spent chlorination liquor from bleaching sulphite pulp at 0.1 g/ton pulp with a high lignin content and at 1.0 g/ton pulp with a normal lignin content after oxygen treatment(2). Both studies utilized gas chromatography-mass spectrometry in compound identification.

Monitoring data indicate that the general population may be exposed to 1,1,1-trichloroacetone via ingestion of chlorinated drinking water. (SRC)

1,1,1-Trichloroacetone's production as a result of chlorine-treatment of drinking water(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 8.7(SRC), determined from a structure estimation method(2), indicates that 1,1,1-trichloroacetone is expected to have very high mobility in soil(SRC). Volatilization of 1,1,1-trichloroacetone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.2X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 1,1,1-Trichloroacetone is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.2 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2008).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 9(SRC), determined from a structure estimation method(2), indicates that 1,1,1-trichloroacetone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces may occur(3) based upon an estimated Henry's Law constant of 2.2X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 21 days and 160 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 1.4(SRC), from an estimated log Kow of 1.1(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2008).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,1,1-trichloroacetone, which has an estimated vapor pressure of 4.2 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,1,1-trichloroacetone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1,000 days(SRC), calculated from its rate constant of 1.50X10-14 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 1,1,1-Trichloroacetone does contain chromophores that absorb at wavelengths >290 and therefore it may be susceptible to direct photolysis in sunlight(SRC).

The rate constant for the vapor-phase reaction of 1,1,1-trichloroacetone with photochemically-produced hydroxyl radicals has been estimated as 1.5X10-14 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 1,000 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1,1,1-Trichloroacetone contains chromophores that absorb at wavelengths >290 nm(3) and therefore may be susceptible to direct photolysis by sunlight(SRC).|1,1,1-Trichloroacetone is expected to hydrolyze readily in finished water with a pH ranging from 8 to 9 based on a study performed on chlorinated raw, unclarified water samples from the Ohio River(1). It was detected at a concentration <2 ug/L at a pH of 7, a higher concentration at a pH of 5, and was no longer detected at a pH of 9.4(1). 1,1,1-Trichloroacetone decomposed in fortified drinking water solutions at a rate constant of 0.182 hr-1 at 21 °C and assumed half-life of 4 hr, and at 1.393 hr-1 at 30 °C with a half-life of 0.5 hr(2). It decomposed with a rate constant of 0.062 hr-1 at 30 °C in an ultrapure water solution indicating a 11 hr half-life(2). Its degradation product, chloroform, is produced more rapidly in ultrapure water solutions than in fortified drinking water; this indicates that the decomposition of 1,1,1-trichloroacetone may lead to products other than chloroform such as chloral hydrate when decomposed in drinking water(2).

An estimated BCF of 1.4 was calculated using an estimated log Kow of 1.1(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1,1,1-trichloroacetone can be estimated to be 8.7(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,1,1-trichloroacetone is expected to have very high mobility in soil.

The Henry's Law constant for 1,1,1-trichloroacetone is estimated as 2.2X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,1,1-trichloroacetone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 21 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 160 days(SRC). 1,1,1-Trichloroacetone's Henry's Law constant indicates that volatilization from moist soil surfaces may exist(SRC). 1,1,1-Trichloroacetone is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.2 mm Hg(SRC), determined from a fragment constant method(3).

DRINKING WATER: 1,1,1-Trichloroacetone was detected in 5/10 samples of finished water from operating utilities in the United States. Concentrations ranged from 10 to 100 ug/L at one site and less than 10 ug/L at the four remaining sites(1). Utilities were selected on a basis that they were representative of varying water sources, treatments, three-year average levels, and population sizes to which they served(1). 1,1,1-Trichloroacetone was detected at median concentrations of 0.80 ug/L (spring), 0.35 ug/L (summer), 0.60 ug/L (autumn), 0.66 ug/L (winter) in 35 United States drinking waters during quarterly periods in 1988(1). 1,1,1-Trichloroacetone was detected in drinking water at a concentration of 2.2 ug/L as a by-product of hypochlorous acid(2). 1,1,1-Trichloroacetone was detected at a concentration of 1.1 ug/L in tap water sampled after tertiary water treatment in July 1997(3).|DRINKING WATER: Three Canadian water treatment plants using different disinfection processes were monitored monthly over a year-long period at varying points along each plants' distribution system. 1,1,1-Trichloroacetone was detected at mean concentrations of 2.6 ug/L (at facility directly after disinfection) 2.2 ug/L (3 km from plant), 0.7 ug/L (10 km from plant), 0.5 ug/L (18 km from plant) and at a minimum concentration of <0.1 ug/L and maximum concentration of 4.4 ug/L(1). 1,1,1-Trichloroacetone was detected at concentrations of 0.3 ug/L at 91st Ave and 0.1 ug/L 115th Ave in Phoenix, Arizona(2). Water from the Llobegat River in Barcelona was tested at three stages of a treatment process in a water treatment plant from Nov 1997 to Mar 1998. 1,1,1-Trichloroacetone was detected during prechlorination, sand filtration, and ozonization at concentrations of 0.4 ug/L, 0.3 ug/L, and 0.3 ug/L, respectively, using a modified EPA Method 551.1 analysis method(3).|SURFACE WATER: Water samples from the Tres Rios Wetlands in Arizona, which receives tertiary treated sewage effluent from 91st Ave Wastewater Treatment Plant, were collected in July 1997 to examine the fate of disinfection byproducts in wetlands. 1,1,1-Trichloroacetone was detected at concentrations of 0.4 ug/L (Salt River flood plain inlet), 0.7 ug/L (Hayfield site wetland inlet), and 0.6 ug/L (open water research cell 1 inlet)(1).

... Dermal absorption of two haloketones (1,1-dichloropropanone and 1,1,1-trichloropropanone) and chloroform while bathing, /were examined/ by collecting and analyzing time profiles of expired breath samples of six human subjects during and following a 30-min bath. The disinfection byproduct concentrations in breath increased towards a maximum concentration during bathing. The maximum haloketone breath concentration during dermal exposure ranged from 0.1 to 0.9 ug /cu m, which was approximately two orders of magnitude lower than the maximum chloroform breath concentration during exposure. Based on a one-compartment model, the in vivo permeability of chloroform, 1,1-dichloropropanone, and 1,1,1-trichloropropanone were approximated to be 0.015, 7.5 x 10- 4, and 4.5 x 10- 4 cm /hr, respectively. Thus, haloketones are much less permeable across human skin under normal bathing conditions than is chloroform...

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 as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on 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. /Ketones and related compounds/|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 necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . For 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. Administer activated charcoal ... . /Ketones and related compounds/|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 if necessary ... . Start IV administration of D5W /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 ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Ketones and related compounds/

1,1,1-TCP

Disinfection by-products are formed when disinfectants used in water treatment plants react with bromide and/or natural organic matter (i.e., decaying vegetation) present in the source water. /Disinfection by-products/

Method: EPA-OGWDW/TSC 551.1; Procedure: gas chromatography with electron capture detector; Analyte: 1,1,1-trichloro-2-propanone; Matrix: finished drinking water, drinking water during intermediate stages of treatment, and raw source water; Detection Limit: 0.01 ug/L.