Pinacolone

100.15888

100.16

200-920-4

3U1AAG3528

935

DTXSID5021752

Colorless liquid

29141990

17.1

1.2

Liquid

0.7229 g/cm³ @ Temp: 25 °C

-52.5 °C

106.1 °C

5 deg C (41 deg F) - closed cup

1.395-1.397

2.44 g/100 mL (15 ºC)

Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Store in cool place.

31.5 mm Hg at 25 deg C

Vapors may form explosive mixture with air.

Peppermint or camphor-like odor

1.21e-12 cm3/molecule*sec

Henry's Law constant = 2.18X10-4 atm-cu m/mol at 25 °C (est)

Volatile in steam|Stable towards autooxidation; under standard conditions it does not form hydroperoxides|Heat of formation = -2.907E+08 J/kmol; Liquid Molar Volume = 0.124869 cu m/kmol; Heat of fusion = 1.133E+07 J/kmol at melting pt|Needles from aq alcohol. MP: 78 °C; BP: 171.6 °C at 748 mm Hg. Soluble in alcohol, ether, petroleum ether, benzene, chloroform. /Oxime/|Hydroxyl radical reaction rate constant = 1.21X10-12 cu cm/molec-sec at 25 °C (est)

-3.4837E+09 J/kmol

4.2089E+07 J/kmol (at melting point)

Critical temp = 564 K; Critical pressure = 3.32E+06 Pa

II

3

UN 1224

2

R11; R22

9-16-29-33-20/21

EL7700000

F,Xn,Xi

Stable. Incompatible with strong oxidizing agents. Flammable.

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, P501

H225

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.|Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material.

UN 1224

|Danger|H225 (78.48%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 163 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).|Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Highly flammable liquid and vapor.

Vapors may form explosive mixture with air.

Use water spray to cool unopened containers.|Wear self contained breathing apparatus for fire fighting if necessary.|For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water.

Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.|Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Use explosion-proof equipment. Keep away from sources of ignition. No smoking. Take measures to prevent the build up of electrostatic charge.|ACCIDENTAL RELEASE MEASURES Personal precautions: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas.|Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.|Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.|/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.|/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 127: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for 3,3-DIMETHYL-2-BUTANONE (8 total), please visit the HSDB record page.

In an analysis of 63 chemical manufacturing effluent discharges collected from across the US, 3,3-dimethyl-2-butanone was detected in one effluent at a concn of <10 ug/L(1). It has been reported that 3,3-dimethyl-2-butanone can be released to the atmosphere through auto emissions and solvents(2).

3,3-Dimethyl-2-butanone has been detected in expired human air (breath) collected from healthy, non-smoking humans(1,2).

3,3-Dimethyl-2-butanone's production and use as an intermediate in the production of fungicides and herbicides(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 110(SRC), determined from a log Kow of 1.2(2) and a regression-derived equation(3), indicates that 3,3-dimethyl-2-butanone is expected to have high mobility in soil(SRC). Volatilization of 3,3-dimethyl-2-butanone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.2X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 31.5 mm Hg(4), and water solubility, 19,000 mg/L(5). 3,3-Dimethyl-2-butanone is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Biodegradation data were not available(SRC, 2007).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 110(SRC), determined from a log Kow of 1.2(2) and a regression-derived equation(3), indicates that 3,3-dimethyl-2-butanone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.2X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 31.5 mm Hg(4), and water solubility, 19,000 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 7 hours and 5.2 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 2(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2007).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3,3-dimethyl-2-butanone, which has a vapor pressure of 31.5 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3,3-dimethyl-2-butanone 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 14 days(SRC), calculated from its rate constant of 1.21X10-12 cu cm/molecule-sec at 25 °C(3). 3,3-Dimethyl-2-butanone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(4).

The rate constant for the vapor-phase reaction of 3,3-dimethyl-2-butanone with photochemically-produced hydroxyl radicals has been measured as 1.21X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 14 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 3,3-Dimethyl-2-butanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 3,3-Dimethyl-2-butanone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(2).

An estimated BCF of 2 was calculated in fish for 3,3-dimethyl-2-butanone(SRC), using a log Kow of 1.2(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).

The Koc of 3,3-dimethyl-2-butanone is estimated as 110(SRC), using a log Kow of 1.2(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3,3-dimethyl-2-butanone is expected to have high mobility in soil.

The Henry's Law constant for 3,3-dimethyl-2-butanone is estimated as 2.2X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 31.5 mm Hg(1), and water solubility, 19,000 mg/L(2). This Henry's Law constant indicates that 3,3-dimethyl-2-butanone is expected to volatilize from water surfaces(3). 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)(3) is estimated as 7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5.2 days(SRC). 3,3-Dimethyl-2-butanone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3,3-dimethyl-2-butanone from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).

SURFACE WATER: 3,3-Dimethyl-2-butanone was detected in one sample of surface waters collected from 204 sites near heavily industrialized areas across the US(1); concn of the detection was not reported(1).

Occupational exposure to 3,3-dimethyl-2-butanone may occur through inhalation and dermal contact with this compound at workplaces where 3,3-dimethyl-2-butanone is produced or used. (SRC)

In an analysis of expired human air collected from 28 normal, healthy, non-smoking humans, 3,3-dimethyl-2-butanone was detected at concns ranging from approximately 0.12 to 2 ng/L of expired air(1); positive identifactions of 3,3-dimethyl-2-butanone were made in approximately 10% of all samples. In a similar study of 54 humans (387 expired air samples collected), 3,3-dimethyl-2-butanone was detected in 8.3% of all samples with a mean concn of 0.184 ng/L(2).

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/

3,3-dimethyl-2-butanone

95% grade

Pesticide, fertilizer, and other agricultural chemical manufacturing|2-Butanone, 3,3-dimethyl-: ACTIVE|Has been prepared in 74% yield by reaction of tert-amyl alcohol with formaldehyde in the presence of strong acid catalysts|Precursor for soman

GAS CHROMATOGRAPHY SEPARATION OF 22 CARBONYL COMPD AS THEIR 2,4-DINITRO-PHENYLHYDRAZONES WAS INVESTIGATED USING GLASS CAPILLARY COLUMNS.