English Safety Data Sheet Database 中文版 MSDS

Pinacolone

CAS No. 75-97-8 | PubChem CID 6416
Section 1. Identification
Chemical NamePinacolone CAS No.75-97-8
Synonyms3,3-dimethyl-2-butanone; tert-butyl methylketone Chinese Name甲基叔丁基(甲)酮
Molecular FormulaC6H12O Molecular Weight100.1
UN No.1224 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word DANGER
Pictograms GHS02 · Flammable GHS07 · Irritant
Hazard Statements H225H302H319H332H335H412
Precautionary Statements P210P233P240P241P242P243P261P264P264+P265P270P271P273P280P301+P317P303+P361+P353P304+P340P305+P351+P338P317P319P330P337+P317P370+P378P403+P233P403+P235P405P501

Section 2. Hazards Identification

This chemical does not meet GHS hazard criteria for 3.6% (5 of 137) of reports.

H225 (68.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]

H302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]

H319 (27%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H332 (54%): Harmful if inhaled [Warning Acute toxicity, inhalation]

H335 (45.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H412 (38%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 137 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 5 of 137 reports by companies.

There are 11 notifications provided by 132 of 137 reports by companies with hazard statement code(s).

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Section 5. Fire-Fighting Measures

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.

Section 6. Accidental Release Measures

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.

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.

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.

Section 7. Handling and Storage

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.

Section 8. Exposure Controls / Personal Protection

1.8 [mg/m3]

20 [mg/m3]

120 [mg/m3]

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).

Section 9. Physical and Chemical Properties

Colorless to light yellow liquid; [CHEMINFO]

Colorless liquid

Peppermint or camphor-like odor

106.1 °C

106.1 °C @760 [mm Hg]

-52.5 °C

5 °C (41 °F) - closed cup

Soluble in ethanol, ether, acetone, carbon tetrachloride

Sol in water (2.44% at 15 °C); soluble in alcohol, ether, acetone

In water, 1.9X10+4 mg/L at 25 °C

0.7229 at 25 °C/25 °C

0.7229 @25 °C

31.5 [mmHg]

31.5 mm Hg at 25 °C

31.5 [mm Hg] @25 °C

log Kow = 1.20

Stable under recommended storage conditions.

VOLATILE IN STEAM

2.47X10-03 Pa-sec at melting point

-3.4837E+09 J/kmol

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

2.9879E-02 Newtons/m at melting point

Index of refraction: 1.3952 at 20 °C/D

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/

Boiling point

Chemical shift

Diamagnetic susceptibility

Dielectric constant

Fusion temperature

Heat of sublimation

Lineshape

Magnetic susceptibility

Melting temperature

Optical coefficient

Phase transition

Refractive index

Thermal expansion coefficient

Section 11. Toxicological Information

Neurotoxin - Acute solvent syndrome

LC50 (mice) = 5,700 mg/m3

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/

/LABORATORY ANIMALS: Acute Exposure/ Sprague-Dawley rats were given 15, 70 and 140 min exposures to 15 mg/L 3,3-dimethyl-2-butanol, pinacolyl alcohol (PA), or 6-hour exposures to 0.2, 1.0 and 5.0 mg/L PA (1 mg/L = 240 ppm). A 50% mortality rate was obtained at the longest exposure to 15 mg/L. Sex related differences in the blood levels of PA and pinacolone were noted, and the surviving male rats failed to gain weight normally in the first week after exposure. In rats exposed to 5.0 mg/L for 6 hours, there were reductions in horizontal and vertical activity and the minute volume was 55% of controls at the end of exposure. Like many secondary alcohols, PA poses only a possible inhalation hazard; however, male rats may be somewhat more susceptible than females. /Pinacolyl alcohol/

/ALTERNATIVE and IN VITRO TESTS/ Following the pretreatment of guinea pigs with 90% LD50 soman, enhancement of microsomal esterase activity was noted 12 and 24 hr after pretreatment. Using Michaelis-Menten enzyme kinetic studies, enhancement was found to occur with liver carboxylesterase and procaine esterase, but not with aniline hydroxylase. Since the soman-enzyme complex was known to undergo aging with the release of pinacolyl alcohol and the subsequent formation of pinacolone, the effects of these metabolites on the activity of liver microsomal enzymes in vitro were explored. Pinacolone and pinacolyl alcohol produced enzyme enhancement in vitro in a manner similar to that produced by soman pretreatment. These effects were compared with those made by acetone in the same incubations, since the enhancing influence of acetone has already been well documented. Similarity was found between the in vitro effects of acetone and the effects of pinacolone and pinacolyl alcohol. Lastly, the in vivo effects of pinacolone on the activities of the same liver microsomal enzymes were studied following pretreatment of the guinea pigs with 90% LDLo (lowest published lethal dose) pinacolone. Pretreating guinea pigs with pinacolone prior to killing them enhanced liver microsomal carboxylesterase and procaine esterase activities, but had no effect on microsomal aniline hydroxylase activity. This pattern of enzyme enhancement was similar to that observed after soman pretreatment. Therefore, soman was found to enhance hepatic microsomal esterase activity in the guinea pig in a manner similar to that seen with its metabolites, as well as acetone. ...

LC50 Pimephales promelas (fathead minnow) 87 mg/L/96 hr flow-through bioassay, wt 0.12 g, water hardness 45.5 mg/L CaCO3, temp: 25 + or - 1 °C, pH 7.5, dissolved oxygen greater than 60% of saturation

3,3-Dimethyl-2-butanone's production and use as a fungicide and herbicide intermediate may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 31.5 mm Hg at 25 °C indicates 3,3-dimethyl-2-butanone will exist solely as a vapor in the atmosphere. Vapor-phase 3,3-dimethyl-2-butanone will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 14 days. 3,3-Dimethyl-2-butanone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight. If released to soil, 3,3-dimethyl-2-butanone is expected to have high mobility based upon an estimated Koc of 110. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 2.2X10-4 atm-cu m/mole. 3,3-Dimethyl-2-butanone may volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation data were not available. If released into water, 3,3-dimethyl-2-butanone is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 7 hours and 5.2 days, respectively. An estimated BCF of 2 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. 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)

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).

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).

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).

Section 12. Ecological Information

LC50 Pimephales promelas (fathead minnow) 87 mg/L/96 hr flow-through bioassay, wt 0.12 g, water hardness 45.5 mg/L CaCO3, temp: 25 + or - 1 °C, pH 7.5, dissolved oxygen greater than 60% of saturation

3,3-Dimethyl-2-butanone's production and use as a fungicide and herbicide intermediate may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 31.5 mm Hg at 25 °C indicates 3,3-dimethyl-2-butanone will exist solely as a vapor in the atmosphere. Vapor-phase 3,3-dimethyl-2-butanone will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 14 days. 3,3-Dimethyl-2-butanone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight. If released to soil, 3,3-dimethyl-2-butanone is expected to have high mobility based upon an estimated Koc of 110. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 2.2X10-4 atm-cu m/mole. 3,3-Dimethyl-2-butanone may volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation data were not available. If released into water, 3,3-dimethyl-2-butanone is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 7 hours and 5.2 days, respectively. An estimated BCF of 2 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. 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)

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).

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).

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).

Section 13. Disposal Considerations

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.

Section 14. Transport Information

/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.

Source: PubChem CID 6416 (NIH/NLM, public domain). Retrieved from PubChem, a public-domain chemistry database maintained by the U.S. National Library of Medicine. Last updated: 2026-08-02 09:10:28.
Disclaimer: This information is compiled for reference only and does not replace the manufacturer's official Safety Data Sheet. Always consult the supplier's SDS before handling any chemical.