Chloroacetic Acid

HCID 300CAS 79-11-8

기본 정보

표준 SMILES
O=C(O)CCl
InChIKey
FOCAUTSVDIKZOP-UHFFFAOYSA-N
분자식
C2H3ClO2
평균 분자량
94.5 g/mol
단동위원소 질량
93.98215702

개요

Chloroacetic acid, solid is a colorless to light-brown crystalline material. It is soluble in water and sinks in water. Combustible. It is transported as a molten liquid and therefore can cause thermal burns. It is toxic by ingestion, skin absorption and inhalation of dust. It is corrosive to metals and tissue.

이름 및 식별자

우선 이름
Chloroacetic Acid
IUPAC
2-chloroacetic acid

이름 및 동의어

chloroacetic acidMonochloroacetic acid79-11-82-chloroacetic acidChloracetic acidChloroethanoic acidAcetic acid, chloro-Acide chloracetiqueMonochloroethanoic acidMonochloracetic acidMonochloorazijnzuurMonochloressigsaeure
이름 더 보기
AcidomonocloroaceticoAcide monochloracetiqueAcide chloroacetiqueKyselina chloroctovaalpha-Chloroacetic acid2-chloro-ethanoic acidNCI-C60231DTXSID4020901

데이터베이스 식별자

CAS
79-11-8
PubChem CID
300
DTXSID
DTXSID4020901
ChEMBL
CHEMBL14090
ChEBI
CHEBI:27869
UNII
5GD84Y125G
EC Number
201-178-4
Nikkaji
J2.409K

물성

구조 계산 물성

XLogP
0.2
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
5

실험 및 물리화학적 성질

Chemical Classes · 3건

Hazardous Air Pollutants (HAPs)

Other Classes -> Organic Acids

Corrosives

DrugsPharmaceuticals
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
CosmeticsCosmetics ingredient -> Preservative/Stabilizer
SpringerMaterials PropertiesMoessbauer quadrupole effect
LogP · 4건

log Kow = 0.22

0.22

0.34

0.22

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H301+H311+H331 (17.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 6건

Chemical: Acetic acid, chloro-

Hazard Traits - Dermatotoxicity; Neurotoxicity; Ocular Toxicity; Respiratory Toxicity

Acetic acid, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15187

Chloroacetic acid: HSNO Approval: HSR003030 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Acetic acid, chloro-: Human health tier II assessment
DOT Label · 2건

Poison Corrosive

Poison Corrosive

Fire Hazards · 6건

When heated to decomposition, it emits highly toxic fumes of phosgene and chlorides. Water may cause frothing if it gets below surface of the liquid and turns to steam. Flammable/poisonous gases may accumulate in tanks and hopper cars. Some of these materials may ignite combustibles, e.g., wood, paper, oil. It is corrosive to metals. Avoid heating. (EPA, 1998)

Special Hazards of Combustion Products: Toxic gases, such as hydrogen chloride, phosgene and carbon monoxide, may be generated. (USCG, 1999)

· Combustible material: may burn but does not ignite readily.

· Combustible material: may burn but does not ignite readily.

· Combustible material: may burn but does not ignite readily.

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Fire PotentialCombustible liquid when exposed to heat or flame.
Health Hazards · 5건

This material is very toxic. The probable lethal oral dose is 50-500 mg/kg of body weight, between one teaspoon and one ounce, for a 150 lb. person. Chloroacetic acid is irritating to the skin, cornea, and respiratory tract and causes burns. It may severely damage skin and mucous membranes. Ingestion may interfere with essential enzyme systems and cause perforation and peritonitis. Burns to skin result in marked fluid and electrolyte loss. Death may follow if more than 3% of the skin is exposed to this material. Other health hazards include central nervous system depression, and respiratory system depression. Persons with lung diseases are at greater risk. (EPA, 1998)

Inhalation causes mucous membrane irritation. Contact with liquid causes severe irritation and burns of the eyes and irritation and burns of skin. Ingestion causes burns of mouth and stomach. (USCG, 1999)

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

안전 및 보호

Fire Fighting · 3건

This material is extremely hazardous to health, but fire fighters may enter areas with extreme care. Full protective clothing including a self-contained breathing apparatus, coat, pants, gloves, boots and bands around legs, arms and waist should be provided. No skin surface should be exposed. Cool fire-exposed containers with water. Move container from fire area if you can do so without risk. Spray cooling water on containers that are exposed to flames until well after fire is out.

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.

Wear protective gloves when administering first aid. First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer immediately for medical attention.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention.

Accidental Release Measures · 6건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 5건

Warning: Effects may be delayed. Caution is advised. Chloroacetic acid is extremely corrosive.

Get medical attention for all exposures to this compound.

General First Aid:

General First Aid:

General First Aid:

Safe StorageSeparated from incompatible materials and food and feedstuffs. See Chemical Dangers. Dry. Store only in original container. Well closed. Ventilation along the floor. Store in an area without drain or sewer access.
Firefighting HazardsGives off irritating or toxic fumes (or gases) in a fire.

독성 정보

Body Burden · 1건

Disinfection of water in swimming pools and spas may result in higher levels of haloacetic acids than in disinfected tap water. Dermal and inhalation exposure are not major routes of exposure as these compounds are not volatile nor readily absorbed through the skin. Accidental ingestion of treated water accounts for the major, approximately 94%, route of exposure(1). /Haloacetic acids/

Interactions · 5건

The effects of glucose infusion on monochloroacetate (MCA) exposure were examined in male rats with a view toward effective clinical treatment for MCA intoxication. Rats were injected with 80 mg/kg sodium monochloroacetate (SMCA) (single lethal dose) and then infused with saline (control group) or 5% or 10% glucose solution at 2 mL/hour for ten hours. No animal in the control group survived the total 14-day follow-up period. The survival rate in 5% glucose group was 57% at ten hours; it decreased to 14% at 14 days. The survival rate in 10% glucose group was 79% at ten hours, and all rats that survived the first ten hours also survived the 14 days. Kaplan-Meier analysis showed the survival rate in 10% glucose group to be improved upon in both the 5% glucose group and the control group. Blood glucose and lactate levels were measured every hour during infusion. Blood glucose levels decreased in the control group but remained in the glucose-infused groups. Although the blood lactate level increased in each group, there was an excellent inverse linear relation between blood glucose levels and blood lactate levels. Thus, continuous parenteral infusion of glucose solution at an early stage after exposure may be an effective clinical therapy for the prevention of hypoglycemia and metabolic lactic acidosis caused by MCA.

... Pretreatment of /male mice of ddY strain/ with either diethyldithiocarbamate or carbon disulfide ... did not prevent the hypothermia induced by monochloroacetic acid. ...

... A 23-year old chemical technician ... spilt MCAA over the dorsum of his right hand and forearm. The solution contained 1.5 M MCAA in ethanol 94%. The arm was rinsed with water for 10 minutes; despite this, erythema and small blisters appeared in the first hour. The lesions healed in 10 days with small scars. After 14 days, itchy vesicles appeared at the site of the scars. On day 28 the patient was patch tested with the international standard series and the MCAA solution 1% in methanol 70%. A strong 4+ reaction was observed to the MCAA solution. Two control persons were negative. According to the authors the ethylester of MCAA (EMCA) was suspected as the causative agent (MCAA + ethanol may react to EMCA and water). On day 49, patch testing was performed with 1% EMCA (purity 99.9%) in acetone and ethanol and 1% MCAA in aq. Strong 4+ reactions were observed to the patches with EMCA, MCAA was negative.

In an experiment to investigate whether ethanol can be used as antidote of MCAA toxicity ... high exposure doses were used so that rabbit skin contamination with MCAA was normally always fatal to the animals. ... Ethanol was unable to prevent death, even with maximum ethanolization (3 g/L in blood). The mean mortality delay was higher in rabbits infused with ethanol after MCAA exposure than in rabbits not infused with ethanol. It seems that blood glucose, potassium, and HC03- were slightly less modified in ethanolized animals than in non-ethanolized animals.

For more Interactions (Complete) data for Chloroacetic acid (6 total), please visit the HSDB record page.

Ecotoxicity Values · 5건

Tubifex tubifex (worm) perturbation concn, 150 mg/L

Paramecium caudatum (protozoan) toxic /concentration/, 150 mg/L

Gammarus pulex (water shrimp) perturbation concn, 30 mg/L

Chironomus plumosus (midge) perturbation concn, 140 mg/L

For more Ecotoxicity Values (Complete) data for Chloroacetic acid (19 total), please visit the HSDB record page.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2(SRC), determined from a log Kow of 0.22(2) and a regression-derived equation(3), indicates that chloroacetic acid is expected to have very high mobility in soil(SRC). The pKa of chloroacetic acid is 2.87(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization from moist soil is not expected because the compound exists as an anion and anions do not volatilize. Chloroacetic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.5X10-2 mm Hg at 25 °C(6). Utilizing the Japanese MITI test, 65% of the Theoretical BOD was reached in 3 weeks with acclimation(7) indicating that biodegradation may be an important environmental fate process in soil under specific conditions(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2(SRC), determined from a log Kow of 0.22(2) and a regression-derived equation(3), indicates that chloroacetic acid is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 2.87(4) indicates chloroacetic acid will exist almost entirely in the anion form at pH values of 5 to 9 and, therefore, volatilization from water surfaces is not expected to be an important fate process(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). No biodegradation was reported for chloroacetic acid following 3 days incubation in both river water and seawater(6), indicating that biodegradation may not be an important environmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), chloroacetic acid, which has a vapor pressure of 6.5X10-2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase chloroacetic acid 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 20 days(SRC), calculated from its rate constant of 7.9X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Chloroacetic acid absorbs UV light at wavelengths 218 nm(4) and, therefore, is not expected to be susceptible to direct photolysis since sunlight consists of wavelengths above 290 nm(SRC).

Food Survey Values · 1건

Exposure to haloacetic acids may also occurr when drinking beverages made with chlorinated water such as tea, coffee, fruit drinks and soft drinks or when eating foods that has been rinsed with or cooked in chlorinated water. Median concentrations range from <1 ug/kg in milk to >10 ug/kg in soft drinks(1). /Haloacetic acids/

Adverse EffectsNeurotoxin - Other CNS neurotoxin

규제 정보

FDA Requirements · 2건

Monochloracetic acid is an indirect food additive for use only as a component of adhesives.

(a) Monochloroacetic acid is the chemical chloroacetic acid ... It is a synthetic chemical not found in natural products, and has been proposed as a preservative in alcoholic and nonalcoholic beverages. Monochloroacetic acid is permitted in food package adhesives with an accepted migration level up to 10 parts per billion (ppb) under section 175.105 of this chapter. The official methods do not detect monochloroacetic acid at the 10 ppb level. (b) Food containing any added or detectable level of monochloroacetic acid is deemed to be adulterated in violation of the act based upon trade correspondence dated December 29, 1941 (TC-377).

Atmospheric Standards · 2건

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Chloroacetic acid is produced, as an intermediate or a final product, by process units covered under this subpart.

Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Chloroacetic acid is included on this list.

CERCLA Reportable Quantities · 2건

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Chloroacetic acid is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 100 or 10,000 lbs. Extremely hazardous substances that are solids are subject to either of two threshold planning quantities ... The lower quantity applies only if the solid exists in powdered form and has a particle size less than 100 microns; or is handled in solution or in molten form; or meets the criteria for a National Fire Protection Association (NFPA) rating of 2, 3 or 4 for reactivity. If the solid does not meet any of these criteria, it is subject to the upper ... threshold planning quantity ... .

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

State Drinking Water Guidelines(FL) FLORIDA 14 ug/L
Federal Drinking Water Standards · 2건

The maximum contaminant level for haloacetic acids (five) (HAA5) is 0.060 mg/L. /Haloacetic acids (five) (HAA5) mean the sum of the concentrations in milligrams per liter of the haloacetic acid compounds (monochloroacetic acid, dichloroacetic acid, trichloroacetic acid, monobromoacetic acid, and dibromoacetic acid), rounded to two significant figures after addition./

Monochloroacetic acid is listed in the 2018 Edition of the Drinking Water Standards and Health Advisories Tables.

Federal Drinking Water GuidelinesMaximum contaminant level goal for disinfection byproducts: monochloroacetic acid = 0.07 mg/L.

화학 및 산업

약리 정보

Mechanism of Action · 1건

In vitro, MCA blocks the cell energy supply in an as yet incompletely resolved manner, leading to a gradual decrease in ATP generation and in protein synthesis. Supplementation of intermediates of the Krebs-cycle or of acetyl-donors does not reduce this effect whereas incubation with the sodium salt of MCA causes a slow but marked decrease in the activity of pyruvate dehydrogenase and to a lesser degree of keto-glutarate dehydrogenase ... .

Biological Half-Life · 4건

... A case of human skin contamination with hot chloroacetic acid labelled with carbon-14 /was reported/. ... A half-life of about 15 hours was found for the excretion of MCAA in urine. ...

... Plasma disappearance of radioactivity, given at ... 53 mg/kg was biphasic (approximately rapid phase half-life: 90 minutes; slow phase: 500 minutes). ...

... Male Swiss-Webster mice (n = 6/dose group) were treated orally with a single dose of 0.6, 150, or 250 mg/kg of (1-(14)C)-MCAA (1.0 uCi). It was found that MCAA is rapidly absorbed by the oral route, rapidly eliminated from the body with a half-life not exceeding 12 hours in non-nervous tissues and 26 hours in the CNS. ...

Rats were administered a single oral (10 (subtoxic) or 225 (toxic, LD20) mg/kg) or dermal (125 mg/kg, LD20) dose of (14)C-monochloroacetic acid (MCA) and the time-course (0.25, 0.75, 2, 4, 8, 16, and 32 hr postadministration) of radioactivity was determined in plasma, tissues, and excreta. ... . The plasma half-life was 2 hr for oral and 4 hr for dermal administration. ...

Metabolism/Metabolites · 5건

The metabolism of 14(C)-dichloroethyne was studied in rats by inhalation in a dynamic nose-only exposure system. ... Metabolites of dichloroethyne identified are: N-acetyl-S-(1,2-dichlorovinyl)-L-cysteine, dichloroethanol, dichloroacetic acid, oxalic acid and chloroacetic acid in urine; N-acetyl-S-(1,2-dichlorovinyl-L-cysteine in feces...

The metabolism of MCA has been characterised in the mouse following MCA administration by intraperitoneal injection. Metabolites of MCA identified in the urine included S-carboxymethylcysteine (33%-43% free and 1%-6% conjugated), thiodiacetic acid (thiodiglycolic acid was found to be the major urinary metabolite of S-carboxymethylcysteine, and most of the glycolate was oxidized to carbon dioxide. The metabolism proceeds probably by enzymatic hydrolysis of the carbon-chlorine bond with the formation of glycolic acid . MCA also conjugates with GSH to form the S-carboxymethyl derivative of GSH, which is then converted to S-carboxymethyl cysteine. In Wistar rats given 50 mg/kg MCA by gavage, thiodiglycolic acid was identified as the major urinary metabolite, accounting for 60% of the administered dose. A greater percentage of administered MCA was excreted as thiodiglycolic acid in rats than in mice; in both species most of the remainder of the dose was excreted as S-carboxymethylcysteine. ... Preliminary pharmacokinetic studies with MCA in rats /showed/ that MCA was rapidly metabolized, and detoxication by conjugation with glutathione appeared to be a major metabolic pathway.

... A 17-year-old male ... ingested approximately 70 mL trichloroethene (TRI) in a suicide attempt. ... During /5 days/ ... blood and urine were collected and TRI and its metabolites were quantified. ... Trichloroethanol and trichloroacetic acid, metabolites of the cytochrome P450-mediated pathway, and N-acetyl-S-(1, 2-dichlorovinyl)-l-cysteine and N-acetyl-S-(2, 2-dichlorovinyl)-l-cysteine from the glutathione-dependent pathway of TRI were quantified in urine samples. Besides these known metabolites in humans, chloroacetic acid and dichloroacetic acid were identified ... in urine of a human exposed to TRI ...

In one human case the majority of MCA was excreted as nonmetabolized MCA. A minor part reacted with glutathione and was excreted in urine as the conjugate. A small amount was metabolized and excreted as carbon dioxide in exhaled air ... .

For more Metabolism/Metabolites (Complete) data for Chloroacetic acid (6 total), please visit the HSDB record page.

Absorption, Distribution and Excretion · 5건

Distribution, metabolism, and excretion of monochloroacetic acid (MCA) were examined in adult male rats at a subtoxic (10 mg/kg) and a toxic (75 mg/kg) dose. Rats were injected i.v. with 14(C)MCA and housed individually. Urine and feces were collected. ... Radioactivity in aliquots showed very rapid distribution of MCA to tissues. Concentrations of MCA in plasma, liver, heart, lungs, and brown fat paralleled each other, whereas those in brain and thymus did not. There was no dose proportionality in tissue concentrations. Elimination of MCA from plasma required modeling by two compartments. Most of the radioactivity found in plasma was parent MCA. Elimination rate constant (K(10)) and distribution rate constant (K(12)) were greatly reduced at the toxic dose. Elimination of the toxic dose was further retarded due to increased retention of MCA in the peripheral compartment as indicated by increased mean residence times in most tissues. A very large fraction of dose was found in the gastrointestinal tract, almost all of which was reabsorbed. Attempts to reduce toxicity by blocking the enterohepatic circulation with activated charcoal or cholestyramine failed. Radioactivity found in bile was associated with one metabolite more polar than the parent compound. A very large fraction of dose (73 and 59%) was found in urine, 55 to 68% of which was parent MCA. The rate-determining step in the toxicity of MCA was identified as its detoxification by the liver...

Rats were administered a single oral (10 (subtoxic) or 225 (toxic, LD20) mg/kg) or dermal (125 mg/kg, LD20) dose of (14)C-monochloroacetic acid (MCA) and the time-course (0.25, 0.75, 2, 4, 8, 16, and 32 hr postadministration) of radioactivity was determined in plasma, tissues, and excreta. At the subtoxic oral dose, concentration of (14)C-MCA peaked at 0.1% of dose by 2 hr. Most tissue profiles of MCA paralleled that of plasma with few exceptions. At the toxic oral dose, tissue concentrations remained initially below those seen after the subtoxic dose, because stomach retained most of the toxic dose for up to 8 hr. Peak plasma concentration was reached within 0.25 hr without an apparent subsequent uptake phase. Most of the dermal dose rapidly penetrated into the skin (>95% within 0.25 hr) and remained sequestered there and released slowly. Concentration in plasma peaked at 0.36% of dose by 0.75 hr and remained constant for up to 4 hr. Peak tissue concentrations were reached between 2 and 4 hr. Within 0.75 hr, 9% of the dermally absorbed dose was metabolized by liver and eliminated through bile, all of which was subsequently reabsorbed. Two percent of MCA appeared in colon by 0.75 hr, apparently as a result of direct transport through GI-wall in retrograde movement. About 70-80% of radioactivity recovered from the small intestine of orally dosed rats was parent compound. Fecal elimination was negligible (</=1%). Urinary excretion was 64-72% of the dose. At the toxic oral dose, urinary excretion was initially slow and accelerated after 8 hr. The plasma half-life was 2 hr for oral and 4 hr for dermal administration. Differential oral low and high dose kinetics was due to delayed stomach emptying and not to saturation of metabolic pathways. Dose-responses were steep, with no overt toxicity (coma/death) up to 200 (oral) and 100 (dermal) mg/kg, whereas 100% mortality occurred at 450 (LD50 > 400 and < 450) and 175 (LD50 145) mg/kg after oral and dermal exposure, respectively.

Distribution of monochloroacetic acid (CA) was studied in rats given a single oral dose of 0.1 mmole/kg body weight [1-(14)C]CA, by gavage. The animals were sacrificed at 4, 8, 12, 24 and 48 hr following the treatment. The distribution of (14)C-label, determined in different tissues, suggests that CA is rapidly absorbed and eliminated from the body. The elimination phase appears to be fast for intestine and kidney as compared to other tissues. Maximum radioactivity was detected in intestine and kidney at 4 and 8 hr following the treatment which was followed by liver, spleen, testes, lung, brain and heart in a decreasing order. A group of rats treated with a single oral dose of 1 mmole/kg (1-(14)C)CA, by gavage, was also sacrificed at 24 hr following the exposure to study the effect of a higher dose on distribution of (1-(14)C)CA. The distribution of (14)C-label at both dose levels indicates that toxicokinetic properties of CA are dose-dependent. Another group of rats administered 1 mmole/kg (1-(14)C) CA daily for three days was also sacrificed at 24 hr following the last dose to evaluate the bioaccumulating properties of CA and/or its metabolites in the tissues. As compared to the number of doses given, the accumulation of (14)C-label was not as large as expected. (14)C-Label determined in the dialyzed plasma, suggests an in vivo binding of (14)C-label to plasma proteins where albumin accounted for about 65% as determined by affinity chromatography...

... To understand the mechanism of monochloroacetic acid (MCA) toxicity, ... the tissue distribution of (1-(14)C)MCA in rats /was studied/ by a whole-body autoradiographic technique. Male Sprague-Dawley rats were given a tracer dose of (1-14C)MCA (6.8 ug/100 g (40 uCi) body weight) by tail vein and euthanized at different time intervals (5 min, 1, 4, 12, 24 and 48 hr). ... At 5 min, there was a rapid accumulation of (14)C-activity in the kidney cortex and stomach walls. The radioactivity was rapidly removed from the circulation. There was high accumulation of (14)C-activity in the myocardial tissues. The liver was also loaded with MCA and/or its metabolites. After 1 hr following administration of (14)MCA, radioactivity was extensively excreted into the small intestinal lumen. The accumulation of (14)C-activity in the brain, thymus, salivary glands and tongue was prominent at 1 hr. After 4 hr the liver and other tissues started to eliminate most of the radioactivity. Contrary to other tissues, however, the central nervous system, thymus and pancreas started to accumulate the radioactivity at later time periods. These observations suggest the accumulation of MCA and/or its metabolites into hydrophilic tissues at earlier time periods and into lipophilic tissues at later times.

For more Absorption, Distribution and Excretion (Complete) data for Chloroacetic acid (13 total), please visit the HSDB record page.

Cellular LocationsCytoplasm

용도 및 제조

Uses · 6건

Chloroacetic acid is used in the manufacture of cellulose ethers (used mainly for drilling muds, detergents, food, and pharmaceuticals), as a post-emergence contact herbicide and defoliant, and in the manufacture of glycine and thioglycolic acid.

Used as a herbicide, preservative, bacteriostat, and chemical intermediate; [HSDB]

Farming (Pesticides) [Category: Industry]

For chloroacetic acid (USEPA/OPP Pesticide Code: 279400) there are 0 labels match. /SRP: Not registered for current use in the USA, but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

Most of the chloroacetic acid produced is used to manufacture several hundred thousand tons annually of carboxymethyl cellulose ... Another major application is the production of herbicides based on arylhydroxyacetic acids.

Herbicide, preservative, bacteriostat, intermediate in production of carboxymethylcellulose; ethyl chloroacetate, glycine, synthetic caffeine, sarcosine, thioglycolic acid, EDTA, 2,4-D, 2,4,5-T.

Impurities · 4건

High purity 99+% chloroacetic acid will contain less than 0.5% of either acetic acid or dichloroacetic acid. Other impurities that may be present in small amounts are water and hydrochloric acid.

Technical grade is about 90% pure.

Purity: > 99%; Impurity: dichloroacetic acid < 0.3%, acetic acid < 0.2%, Fe < 0.0005%, Pb < 0.0001%

Dichloroacetic acid; acetic acid; water; sodium dichloroacetate; sodium acetate; sodium chloride; sodium glycolate; ethylmonochloroacetate; ethanol; iron and lead.

U.S. Exports · 3건

CHEMICAL PROFILE: Chloroacetic acid. US Exports: 1998: 1.7 million pounds; 1999: 1.3 million pounds

CHEMICAL PROFILE: Chloroacetic acid. US Exports: 2001: 1.5 million pounds; 2002: 4.7 million pounds

CHEMICAL PROFILE: Chloroacetic acid. US Exports: 2004: 1 million pounds; 2005: 1 million pounds

U.S. Imports · 5건

(1978) 1.25X10+10 G

(1982) 1.35X10+10 G

The majority of imported chloroacetic acid is produced in Germany.

CHEMICAL PROFILE: Chloroacetic acid. US Imports: 1993: 30 million pounds

For more U.S. Imports (Complete) data for Chloroacetic acid (8 total), please visit the HSDB record page.

U.S. Production · 6건

2023: 10,000,000 - <50,000,000 lb

(1978) 3.50X10+10 G

(1982) PROBABLY GREATER THAN 6.81X10+6 G

Produced at a rate of more than 300,000 tons annually.

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#2505]

For more U.S. Production (Complete) data for Chloroacetic acid (10 total), please visit the HSDB record page.

Consumption Patterns · 5건

CHEM INT FOR SODIUM CARBOXYMETHYLCELLULOSE, 60%; FOR HERBICIDES, 30%; FOR OTHER DERIVATIVES (EG, GLYCINE, THIOGLYCOLIC ACID, PHARMACEUTICALS, & INDIGOID DYES), 10% (1979)

CHEMICAL PROFILE: Chloroacetic acid. End-use pattern for chloroacetic acid in 1995

CHEMICAL PROFILE: Chloroacetic acid. US Demand: 1994: 77.5 million pounds; 1995: 79 million pounds; 1999: 85 million pounds /projected/

CHEMICAL PROFILE: Chloroacetic acid. End-use pattern for chloroacetic acid in 1997

For more Consumption Patterns (Complete) data for Chloroacetic acid (11 total), please visit the HSDB record page.

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