Benzilic acid

228.24

228.24

521402

200-993-2

8F6J993XXR

2830

DTXSID0058805

White to tan powder|Forms monoclinic needles from water|Changes to deep red color at higher temperature

29181980

57.5

3.03

White to cream-white Powder

1.3±0.1 g/cm3

151 °C

187 °C

180°C/22mm

1.623

H2O: 1.41 g/L (25 ºC)

Store below +30°C.

2.32X10-8 mm Hg at 25 deg C (est)

Oral-Mouse LD50: 2000 mg/kg; Subcutaneous-mouse LD50: 1300 mg/kg

Flammable; burning produces irritating fumes

Characteristic odor

Bitter taste

Henry's Law constant = 5.57X10-10 atm-cu m/mol at 25 °C (est)

pKa = 3.05 at 18 °C

Hydroxyl radical reaction rate constant = 9.25X10-12 cu m/molec-sec at 25 deg (est)

NONH for all modes of transport

3

22-36/37/38-20/21/22

36-36/37/39-26

DD2064000

Xn

Ventilated, low temperature and dry

Stable. Incompatible with strong oxidizing agents. Combustible.

P301 + P312 + P330

H302

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|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 50 companies from 2 notifications to the ECHA C&L Inventory.|H302: Harmful if swallowed [Warning Acute toxicity, oral]

Where risk assessment shows air-purifying respirators are appropriate use a dust mask type N95 (US) or type P1 (EN 143) respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).|Safety glasses for eye protection|Handle with gloves. For prolonged or repeated contact use protective gloves.|Choose body protection according to the amount and concentration of the dangerous substance at the work place.

Wear self contained breathing apparatus for fire fighting if necessary.|Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Accidental Release Measures. Personal precautions - Use personal protective equipment, avoid dust formation, avoid breathing dust, ensure adequate ventilation. Environmental precautions - Do not let product enter drains. Methods for cleaning up - Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.|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.|Handling: Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire protection. Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.|In case of skin contact, wash off with soap and plenty of water.

May cause respiratory tract irritation. May cause skin irritation. May cause eye irritation.

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. Benzilic acid is produced, as an intermediate or a final product, by process units covered under this subpart.

moderately toxic

LD50 Mouse sc 1300 mg/kg|LD50 Mouse oral 2 g/kg /2,000 mg/kg/

Benzilic acid's production and use as a precursor to the chemical warfare agent q-Quinuclidinyl benzilate(1)and pharmaceutical intermediate(2) 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 420(SRC), determined from a log Kow of 2.30(2) and a regression-derived equation(3), indicates that benzilic acid is expected to have moderate mobility in soil(SRC). The pKa of benzilic acid is 3.05(4), indicating that this compound will exist almost entirely exist in 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 acid exists as an anion and anions do not volatilize. Benzilic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.3X10-8 mm Hg(SRC), determined from a fragment constant method(6). A theoretical BOD of 0% in the Japanese MITI test(7) indicates that biodegradation is not an important fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 420(SRC), determined from a log Kow of 2.30(2), and a regression-derived equation(3), indicates that benzilic acid is expected to adsorb moderately to suspended solids and sediment(SRC). A pKa of 3.05(4) indicates benzilic 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(5). According to a classification scheme(6), an estimated BCF of 3.2(SRC), determined from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A theoretical BOD of 0% in the Japanese MITI test(8) indicates that biodegradation is not an important fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzilic acid, which has an estimated vapor pressure of 2.3X10-8 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 benzilic acid may be removed from the air by wet or dry deposition(SRC). Benzilic acid 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).

Benzilic acid is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(1). Benzilic acid does not contain chromophores that absorb at wavelengths >290 nm(1) and therefore is not susceptible to direct photolysis by sunlight(SRC).

1.82|A BCF of <0.2 was measured in fish for benzilic acid at a concentration of 1 ppm using carp(Cyprinus carpio) which were exposed over an 6-week period(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of benzilic acid is estimated as 420(SRC), using a log Kow of 2.30(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzilic acid is expected to have moderate mobility in soil. The pKa of benzilic acid is 3.05(4), indicating that this compound will exist almost entirely in 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).

The pKa of benzilic acid is 3.05(1), indicating that benzilic 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(2). Benzilic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.3X10-8 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to benzilic acid may occur through inhalation of dust and dermal contact at workplaces where benzilic acid is produced or used. Limited exposure to the general population may occur due to its use as an intermediate in synthesis of the anticholinergic drug, clidinium bromide, an anticholinergic. (SRC)

3-Quinuclidinol (Q) and benzilic acid (BA) /are the 2 major metabolites of 3-quinuclidinyl benzilate/.

/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 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. /Organic acids and related compounds/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. 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 ... . 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. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/|/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. Early intubation, at the first sign of upper airway obstruction, may be necessary. 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 /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. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/

/SIGNS AND SYMPTOMS/ May be harmful if inhaled. May cause respiratory tract irritation. May be harmful if absorbed through skin. May cause skin irritation. May cause eye irritation. Harmful if swallowed

2,2-diphenyl-2-hydroxyethanoic acid

Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-: ACTIVE

A simple sample preparation step based on ion-pair (IP) solid-phase extraction (SPE) for the extraction of acidic degradation products of CWA namely methyl, ethyl, propyl phosphonic acids, thiodiglycolic acid and benzilic acid /is reported/. The analysis was performed on GC-MS in electron impact ionization mode. Three IP reagents triethylamine (TEA), tetrabutylammonium bromide (TBAB) and cetyltrimethyl ammonium bromide (CTAB) were used. The recoveries were estimated using the internal and external standard methods. The recovery of the compounds was almost negligible when TEA was used as IP reagent. The recoveries obtained when TBAB and CTAB were used as IP reagents were high and reproducible. The recovery of test chemicals is above 90%, except for methyl phosphonic acid and ethylphosphonic acid (20.6 +/- 3.2% and 35.8 +/- 2.5%, respectively). The minimum detection limits of the method were calculated for all chemicals in both full scan and selected ion monitoring modes. The test chemicals could be detected in microgram per liter quantities by the IP-SPE method.

In response to the scheduled destruction of U.S. military stockpiles of the hallucinogenic agent 3-quinuclidinyl benzilate (QNB), a specific confirmatory test for human exposure to QNB was developed. The amount of the parent compound in the urine as well as the two major metabolites, 3-quinuclidinol (Q) and benzilic acid (BA), was determined because the relationship between QNB dose and levels of QNB and its metabolites in human urine is not known. QNB was determined in urine samples spiked at a target level of 0.5 ng/mL, and the metabolites BA and Q were determined at a target level of 5 ng/mL. The method uses solid-phase extraction to isolate each analyte from the urine and isotope dilution gas chromatography/mass spectrometry for quantitation. Each analyte is converted to its trimethylsilyl derivative for analysis. The analytical method was tested on eight different urine samples spiked with known amounts of the analytes near the target levels, at 10 times the target|A qualitative screening procedure was developed for the detection of the hydrolysis and related products of chemical warfare agents using liquid chromatography-mass spectrometry with atmospheric pressure chemical ionisation. A mixed C818 reversed-phase column gave acceptable chromatography for the range of acidic, neutral and basic analytes. ... Detection limits were in the range 0.2-8 ng injected for ... benzilic acid. The methodology provides a rapid screening procedure for aqueous samples and extracts and was applied to the analysis of soil samples collected from bomb craters, and to spiked water and soil samples.