3-Methylbutanal

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1824) of reports.

H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

H317 (84.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H319 (> 99.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (85.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H411 (83.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1824 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 1 of 1824 reports by companies.

There are 24 notifications provided by 1823 of 1824 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]

H315: Causes skin irritation [Warning Skin corrosion/irritation]

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth. Do NOT induce vomiting.

INHALATION: remove victim to fresh air; apply artificial respiration if required; get medical attention.

EYES: flush with water for at least 15 min.

SKIN: wipe off, wash well with soap and water.

INGESTION: induce vomiting; get medical attention. (USCG, 1999)

Fire Extinguishing Agents Not to Be Used: Water may be ineffective.

Fire Extinguishing Agents: Dry chemical, foam, carbon dioxide (USCG, 1999)

Use dry sand, carbon dioxide, dry powder. NO water. In case of fire: keep drums, etc., cool by spraying with water.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.

LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).

FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Remove all ignition sources. Evacuate danger area! Consult an expert! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

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.

Personnel protection: Avoid breathing vapors. Keep upwind. Wear appropriate chemical protective gloves, boots and goggles. Do not handle broken packages unless wearing appropriate personal protective equipment If contact with the material anticipated, wear appropriate chemical protective clothing.

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.

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.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:

ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.

LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Fireproof. Well closed. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.

Materials which are toxic as stored or which can decompose into toxic components...should be stored in a cool, well ventilated place, out of the direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected. Incompatible materials should be isolated...

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

The substance is irritating to the eyes and respiratory tract. The substance is mildly irritating to the skin. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis.

Goggles or face shield; rubber gloves; air mask or self-contained breathing apparatus for high vapor concentrations. (USCG, 1999)

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling.

Use ventilation. Avoid inhalation of mist.

Protective gloves.

Wear safety spectacles.

Do not eat, drink, or smoke during work.

Isovaleraldehyde is a colorless liquid with a weak suffocating odor. Floats on water. Produces an irritating vapor. (USCG, 1999)

Colorless liquid with a pungent odor like apples; [Merck Index]

COLOURLESS LIQUID WITH PUNGENT ODOUR.

colourless to yellow liquid with a fruity, fatty, animal, almond odour

Colorless liquid

Apple-like odor

POWERFUL PENETRATING, ACRID ODOR

AT VERY LOW LEVELS THE FLAVOR IS WARM, HERBACEOUS, SLIGHTLY FRUIT, AND NUT-LIKE

198.5 °F at 760 mmHg (USCG, 1999)

90.00 to 93.00 °C. @ 760.00 mm Hg

92-93 °C

-60 °F (USCG, 1999)

55 °F (est.) (USCG, 1999)

48 °F (9 °C) open cup

-3 °C c.c.

Slightly soluble in water; soluble in ethanol, ethyl ether

Miscible with alcohol, ether

SOL IN PROPYLENE GLYCOL AND OILS

In water, 1,400 mg/L at 20 °C

14 mg/mL at 20 °C

Solubility in water, g/100ml: 2 (poor)

soluble in water

(in ethanol)

0.785 at 68 °F (USCG, 1999) - Less dense than water; will float

0.7977 g/cu cm at 20 °C

Relative density (water = 1): 0.8

0.795-0.815 (20 °C/20 °C)

2.96 (Air = 1)

Relative vapor density (air = 1): 3.0

50.0 [mmHg]

50 mm Hg at approx 25 °C

Vapor pressure, kPa at 20 °C: 6.1

464 °F (240 °C)

Disaster hazard: slight; when heated, it emits acrid fumes.

0.58 mPa.S at 20 °C

0.725 mm²/s at 20 °C

23.2 mN/m at 20 °C

Index of refraction: 1.3902 at 20 °C/D

1.387-1.408

Conversion factors: 1 mg/L = 284 ppm; 3.5 mg/cu m = 1 ppm

Highly flammable.

Aldehydes

Highly Flammable

Polymerizable

Peroxidizable Compound

ISOVALERALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

Isovaleraldehyde

D*: Other compounds that may form peroxides

Bretherick's

Sore throat. Cough.

Redness.

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

LC50 (rat) = 42,700 mg/m3/4h

LC50 rabbit Inhalation >6.2 mg/L/10 hr.

LD50 Rabbit dermal 3180 mg/kg

LD50 Mouse oral 4750 mg/kg

LD50 Rat oral 5600 mg/kg

For more Non-Human Toxicity Values (Complete) data for 3-METHYLBUTANAL (10 total), please visit the HSDB record page.

Isovaleraldehyde markedly inhibited acetaldehyde oxidation in rat liver and was the most potent inhibitor of oxidation of various mitochondrial substrates.

/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. /Aldehydes 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 ventilations if necessary. Aggressive airway management may be necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Anticipate seizures and treat if necessary ... . Monitor for shock and treat if necessary ... . Monitor for pulmonary edema 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. Administer activated charcoal ... . /Aldehydes and Related Compounds/

/SRP:/ Advanced treatment: Consider Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Intubation should be considered at the first sign of upper airway obstruction caused by edema. 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 ... . 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 ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aldehydes and Related Compounds/

/SIGNS AND SYMPTOMS/ The mucus membranes of the nasal and oral passages and the upper respiratory tract are affected, producing a burning sensation ... bronchial constriction, choking, and coughing. The eyes tear, and a burning sensation is noted on the skin of the face. /Aldehydes/

/CASE REPORTS/ A group of seven chemists were accidentally exposed to isovaleraldehyde leaking from a laboratory apparatus for several days. Toxic effects were mainly tightness in the chest, irritation of the upper respiratory tract, cough, dyspnea, marked loss of energy and weakness, dizziness, headaches, profuse perspiration, tachycardia, nausea, vomiting, diarrhea, anorexia, somnolence, sometimes insomnia, and in one case a partial pneumothorax. All recovered rapidly after removing the exciting cause. Isovaleraldehyde was detected in the air by aspirating it through a solution containing dinitrophenylhydrazine. Odor was described as pungent but no informations on actual air concentrations were given.

/GENOTOXICITY/ A sister chromatid exchange study in human lymphocytes gave equivocal results. The concentrations were 0.002 - 0.003%; no metabolic activation was employed.

/OTHER TOXICITY INFORMATION/ 3-Methylbutanal ... has been proposed as a toxin of importance in the pathogenesis of hepatic encephalopathy in /humans/. ... The mean plasma 3-methylbutanal concentration in non-fasting patients with hepatic encephalopathy, 0.244 umol/L (range 0-1.30) was not significantly different from the mean value in controls, 0.116 umol/L (0-0.349). Oral leucine feeding resulted in significant increases in plasma 3-methylbutanal concentrations in both control subjects and patients with cirrhosis. Peak leucine and 3-methylbutanal values occurred at approximately the same time and usually within 120 min of leucine ingestion. Pre-treatment with neomycin had no effect on the results of leucine feeding. No changes occurred in the clinical condition or psychometric performance of patients with cirrhosis fed leucine despite increases in plasma 3-methylbutanal of up to 700% over basal values. In /humans/ plasma 3-methylbutanal, at least in part, derives from ingested leucine independently of the action of colonic bacteria...

/LABORATORY ANIMALS: Acute Exposure/ Irritant effects: guinea pig, moderate skin irritant. /From table/

/LABORATORY ANIMALS: Acute Exposure/ The compound was tested externally on the eyes of rabbits, and, according to the degree of injury observed after 24 hours, rated on a scale of 1 to 10. The most severely injurious substances have been rated 10. 3-Methylbutyraldehyde rated 4 on rabbit eyes.

/LABORATORY ANIMALS: Acute Exposure/ The sensory irritation potential of aldehydes was investigated in B6C3Fl-mice and Swiss-Webster-mice. Aldehydes studied included isovaleraldehyde. Mice were exposed to test atmospheres in a 2.7 liter head only exposure chamber for 10 minutes. Sensory irritation was quantified by measuring respiratory rate depression before, during, and after exposure. Five concentrations of each aldehyde were used to construct a concentration response curve, and the concentration eliciting a 50% decrease in respiratory rate (RD50) value was determined. Unsaturated aliphatic aldehydes produced RD50 values ranging from 1 to 5 ppm, cyclic aldehydes produced RD50 values ranging from 60 to 400 ppm, and saturated aliphatic aldehydes produced RD50 values ranging from 750 to 4200 ppm. Alpha, beta unsaturated aliphatic aldehydes were about two orders of magnitude more potent than saturated aliphatic aldehydes, and cyclic aldehydes were one order of magnitude more potent than saturated aliphatic aldehydes. No statistically significant differences in response were found between the two strains of mice.

/GENOTOXICITY/ Isovaleraldehyde /was tested/ in S. typhimurium strains TA98, TA100, and TA102 in concentrations of 0,01 - 1,000 nmol/plate; there was no increase in the number of revertants.

For more Non-Human Toxicity Excerpts (Complete) data for 3-METHYLBUTANAL (7 total), please visit the HSDB record page.

LC50; Species: Pimephales promelas (Fathead minnow, age 30 days, mean length 20.4 mm, mean weight 0.127 g); Conditions: flow through, 23.9 °C pH 7.58, hardness 49.3 mg/L CaCO3, alkalinity 47.8 mg/L CaCO3, dissolved oxygen 6.9 mg/L; Concentration: 3.25 mg/L for 96 hr (95% confidence limit: 2.98-3.54 mg/L) /97.3% purity/

EC50; Species: Pimephales promelas (Fathead minnow, age 30 days, mean length 20.4 mm, mean weight 0.127 g); Conditions: flow through, 23.9 °C pH 7.58, hardness 49.3 mg/L CaCO3, alkalinity 47.8 mg/L CaCO3, dissolved oxygen 6.9 mg/L; Concentration: 3.25 mg/L for 96 hr (95% confidence limit: 2.98-3.54 mg/L); Effect: Affected fish lost schooling behavior, swam near the surface, were hyperactive, had increased respiration and edema. Equilibrium loss was not observed prior to death. /97.3% purity/

LC50; Species Leuciscus idus (Ide); Conditions: static; Concentration 53 mg/L for 96 hr

LC50; Species Poecilia reticulata (Guppy); Conditions: semi-static; Concentration 13.3 mg/L for 14 days

For more Ecotoxicity Values (Complete) data for 3-METHYLBUTANAL (11 total), please visit the HSDB record page.

The substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.

3-Methylbutanal's production and use as a flavorant, in perfumes, in pharmaceuticals, and in synthetic resins may result in its release to the environment through various waste streams. 3-Methylbutanal occurs in orange, lemon, peppermint, and other essential oils. If released to air, a vapor pressure of 50 mm Hg at 25 °C indicates 3-methylbutanal will exist solely as a vapor in the atmosphere. Vapor-phase 3-methylbutanal will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and nitrate radicals; the half-lives for these reactions in air are estimated to be 14 and 44 hours, respectively. Aliphatic aldehydes absorb available solar radiation and dissociate to produce free radical fragments; therefore 3-methylbutanal may be susceptible to direct photolysis by sunlight. If released to soil, 3-methylbutanal is expected to have very high mobility based upon an estimated Koc of 23. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 4.0X10-4 atm-cu m/mole. 3-Methylbutanal may volatilize from dry soil surfaces based upon its vapor pressure. A theoretical oxygen demand of 16.1% after 24 hrs in a waste treatment plant suggests that biodegradation may be an important environmental fate process. If released into water, 3-methylbutanal 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 5 hrs and 4 days, respectively. An estimated BCF of 3 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-methylbutanal may occur through inhalation and dermal contact with this compound at workplaces where 3-methylbutanal is produced or used. Monitoring data indicate that the general population may be exposed to 3-methylbutanal via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with products containing 3-methylbutanal. (SRC)

3-Methylbutanal occurs in orange, lemon, peppermint, and other essential oils(1).

...ISOVALERALDEHYDE /IS/ COMPONENT OF EXHAUST OF INTERNAL COMBUSTION ENGINES.

3-Methylbutanal's production and use as a flavorant, in perfumes, in pharmaceuticals, and in synthetic resins(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 23(SRC), determined from a water solubility of 1.4X10+4 mg/L(2) and a regression-derived equation(3), indicates that 3-methylbutanal is expected to have very high mobility in soil(SRC). Volatilization of 3-methylbutanal from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.0X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 50 mm Hg(4), and its water solubility(2). 3-Methylbutanal is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). A theoretical oxygen demand of 16.1% after 24 hrs in a waste treatment plant(5) suggests that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 23(SRC), determined from a water solubility of 1.4X10+4 mg/L(2) and a regression-derived equation(3), indicates that 3-methylbutanal is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 4.0X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 50 mm Hg(4), and water solubility(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hours and 4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 3-Methylbutanal is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). A theoretical oxygen demand of 16.1% after 24 hrs in a waste treatment plant(6) suggests that biodegradation may 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), 3-methylbutanal, which has a vapor pressure of 50 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3-methylbutanal 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 hours(SRC), calculated from rate constants of 2.78X10-11(3) and 2.74X10-11(4) cu cm/molecule-sec at 25 °C. Vapor-phase 3-methylbutanal is also degraded in the atmosphere by reaction with photochemically-produced nitrate radicals; the half-life for this reaction in air is estimated to be 44 hours(SRC), calculated from rate constant of 1.82X10-14 cu cm/sec(3). Aliphatic aldehydes absorb available solar radiation and dissociate to produce free radical fragments(5); therefore 3-methylbutanal may be susceptible to direct photolysis by sunlight(SRC).

AEROBIC: In activated sludge from waste treatment plants, 3-methylbutanal had a theoretical oxygen demand of 9.2, 14.2, and 16.1% after 6, 12, and 24 hours, respectively(1).

The rate constant for the vapor-phase reaction of 3-methylbutanal with photochemically produced hydroxyl radicals has been reported as 2.78X10-11 cu cm/molecule-sec(1) and 2.74X10-11 cu cm/molecule-sec(2). These correspond to atmospheric half-lives of about 14 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). The rate constant for the vapor-phase reaction of 3-methylbutanal with nitrate radical has been experimentally determined to be 1.82X10-14 cu cm/sec(1). This corresponds to atmospheric half-life of about 44 hours at a concentration of 2.4X10+8 nitrate radicals per cu cm(3). 3-Methylbutanal is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(4). Aliphatic aldehydes absorb available solar radiation and dissociate to produce free radical fragments(4).

An estimated BCF of 3 was calculated in fish for 3-methylbutanal(SRC), using a water solubility of 1.4X10+4 mg/L(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-methylbutanal is estimated as 23(SRC), using a water solubility of 1.4X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-methylbutanal is expected to have very high mobility in soil.

The Henry's Law constant for 3-methylbutanal is estimated as 4.0X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 50 mm Hg(1), and water solubility, 1.4X10+4 mg/L(2). This Henry's Law constant indicates that 3-methylbutanal is expected to volatilize rapidly 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 5 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 4 days(SRC). 3-Methylbutanal's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-methylbutanal from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).

LC50; Species: Pimephales promelas (Fathead minnow, age 30 days, mean length 20.4 mm, mean weight 0.127 g); Conditions: flow through, 23.9 °C pH 7.58, hardness 49.3 mg/L CaCO3, alkalinity 47.8 mg/L CaCO3, dissolved oxygen 6.9 mg/L; Concentration: 3.25 mg/L for 96 hr (95% confidence limit: 2.98-3.54 mg/L) /97.3% purity/

EC50; Species: Pimephales promelas (Fathead minnow, age 30 days, mean length 20.4 mm, mean weight 0.127 g); Conditions: flow through, 23.9 °C pH 7.58, hardness 49.3 mg/L CaCO3, alkalinity 47.8 mg/L CaCO3, dissolved oxygen 6.9 mg/L; Concentration: 3.25 mg/L for 96 hr (95% confidence limit: 2.98-3.54 mg/L); Effect: Affected fish lost schooling behavior, swam near the surface, were hyperactive, had increased respiration and edema. Equilibrium loss was not observed prior to death. /97.3% purity/

LC50; Species Leuciscus idus (Ide); Conditions: static; Concentration 53 mg/L for 96 hr

LC50; Species Poecilia reticulata (Guppy); Conditions: semi-static; Concentration 13.3 mg/L for 14 days

For more Ecotoxicity Values (Complete) data for 3-METHYLBUTANAL (11 total), please visit the HSDB record page.

The substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.

3-Methylbutanal's production and use as a flavorant, in perfumes, in pharmaceuticals, and in synthetic resins may result in its release to the environment through various waste streams. 3-Methylbutanal occurs in orange, lemon, peppermint, and other essential oils. If released to air, a vapor pressure of 50 mm Hg at 25 °C indicates 3-methylbutanal will exist solely as a vapor in the atmosphere. Vapor-phase 3-methylbutanal will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and nitrate radicals; the half-lives for these reactions in air are estimated to be 14 and 44 hours, respectively. Aliphatic aldehydes absorb available solar radiation and dissociate to produce free radical fragments; therefore 3-methylbutanal may be susceptible to direct photolysis by sunlight. If released to soil, 3-methylbutanal is expected to have very high mobility based upon an estimated Koc of 23. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 4.0X10-4 atm-cu m/mole. 3-Methylbutanal may volatilize from dry soil surfaces based upon its vapor pressure. A theoretical oxygen demand of 16.1% after 24 hrs in a waste treatment plant suggests that biodegradation may be an important environmental fate process. If released into water, 3-methylbutanal 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 5 hrs and 4 days, respectively. An estimated BCF of 3 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-methylbutanal may occur through inhalation and dermal contact with this compound at workplaces where 3-methylbutanal is produced or used. Monitoring data indicate that the general population may be exposed to 3-methylbutanal via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with products containing 3-methylbutanal. (SRC)

3-Methylbutanal occurs in orange, lemon, peppermint, and other essential oils(1).

...ISOVALERALDEHYDE /IS/ COMPONENT OF EXHAUST OF INTERNAL COMBUSTION ENGINES.

3-Methylbutanal's production and use as a flavorant, in perfumes, in pharmaceuticals, and in synthetic resins(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 23(SRC), determined from a water solubility of 1.4X10+4 mg/L(2) and a regression-derived equation(3), indicates that 3-methylbutanal is expected to have very high mobility in soil(SRC). Volatilization of 3-methylbutanal from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.0X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 50 mm Hg(4), and its water solubility(2). 3-Methylbutanal is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). A theoretical oxygen demand of 16.1% after 24 hrs in a waste treatment plant(5) suggests that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 23(SRC), determined from a water solubility of 1.4X10+4 mg/L(2) and a regression-derived equation(3), indicates that 3-methylbutanal is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 4.0X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 50 mm Hg(4), and water solubility(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hours and 4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 3-Methylbutanal is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). A theoretical oxygen demand of 16.1% after 24 hrs in a waste treatment plant(6) suggests that biodegradation may 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), 3-methylbutanal, which has a vapor pressure of 50 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3-methylbutanal 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 hours(SRC), calculated from rate constants of 2.78X10-11(3) and 2.74X10-11(4) cu cm/molecule-sec at 25 °C. Vapor-phase 3-methylbutanal is also degraded in the atmosphere by reaction with photochemically-produced nitrate radicals; the half-life for this reaction in air is estimated to be 44 hours(SRC), calculated from rate constant of 1.82X10-14 cu cm/sec(3). Aliphatic aldehydes absorb available solar radiation and dissociate to produce free radical fragments(5); therefore 3-methylbutanal may be susceptible to direct photolysis by sunlight(SRC).

AEROBIC: In activated sludge from waste treatment plants, 3-methylbutanal had a theoretical oxygen demand of 9.2, 14.2, and 16.1% after 6, 12, and 24 hours, respectively(1).

The rate constant for the vapor-phase reaction of 3-methylbutanal with photochemically produced hydroxyl radicals has been reported as 2.78X10-11 cu cm/molecule-sec(1) and 2.74X10-11 cu cm/molecule-sec(2). These correspond to atmospheric half-lives of about 14 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). The rate constant for the vapor-phase reaction of 3-methylbutanal with nitrate radical has been experimentally determined to be 1.82X10-14 cu cm/sec(1). This corresponds to atmospheric half-life of about 44 hours at a concentration of 2.4X10+8 nitrate radicals per cu cm(3). 3-Methylbutanal is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(4). Aliphatic aldehydes absorb available solar radiation and dissociate to produce free radical fragments(4).

An estimated BCF of 3 was calculated in fish for 3-methylbutanal(SRC), using a water solubility of 1.4X10+4 mg/L(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-methylbutanal is estimated as 23(SRC), using a water solubility of 1.4X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-methylbutanal is expected to have very high mobility in soil.

The Henry's Law constant for 3-methylbutanal is estimated as 4.0X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 50 mm Hg(1), and water solubility, 1.4X10+4 mg/L(2). This Henry's Law constant indicates that 3-methylbutanal is expected to volatilize rapidly 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 5 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 4 days(SRC). 3-Methylbutanal's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-methylbutanal from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).

DRINKING WATER: In a 10-city survey representing different sources and types of contamination of raw water supply, 3-methylbutanal was detected in 5 (Miami, FL, Seattle, WA, Ottuma, IA, Philadelphia, PA(1,2), Cincinnati, OH(1-3)) of the 10 supplies. 3-Methylbutanal has been implicated as one of four chemicals which cause Edmonton's spring time taste and odor events in its drinking water(4). 3-Methylbutanal may be produced during the water treatment process as an oxidation product of the corresponding amino acid (leucine)(4). 3-Methylbutanal was qualitatively detected in the Carrollton Water Plant in New Orleans(5). 3-Methylbutanal was identified as an ozone disinfection by-product in drinking water samples from a pilot plant in Jefferson Parish, LA which uses Mississippi River was as the raw water source; samples were collected following 4 rounds of ozonation treatment performed in January, 1994, August 1994, May 1995, and September 1996(6).

3-Methylbutanal was found in biodegradable household waste headspace and in of mixed household waste headspace at concns of <0.1 mg/cu m(1). 3-Methylbutanal was found in highway tunnels in Tuscarora; light duty trucks emitted 0.01 mg/km traveled or 0.150 mg/L fuel used, heavy duty trucks emitted 0.103 mg/km traveled or 0.325 mg/L fuel used(2). Laboratory scale composting emissions contained 3-methylbutanal after two days(3). 3-Methylbutanal was measured in the emissions of gasoline powered motor vehicles at a rate of 250 ug/km and 22,080 ug/km for catalyst equipped engines and non-catalyst equipped engines(4). 3-Methylbutanal was detected in the off gas from 12 weeks of aerobic composting at a concn of 4.0 mg/cu m and after 3 week anaerobic/2 week aerobic composting at a concn of 1.0-5.5 mg/cu m(5). 3-Methylbutanal was detected but not quantified in the emissions of kitchen waste, kitchen waste exudate, stored food exudate, building materials with microbial growth(6), garbage truck headspace, waste headspace in the laboratory, and other waste exudate(7). 3-Methylbutanal was detected in the emissions of cookstoves in China using wheat crop residue, wood, coal, kerosene, liquid propane gas, and natural gas at concns of 8.2, 6.8, 2.8, 9.3, 11.5, and 4.2 mg/kg, respectively(8). 3-Methylbutanal has been reported in exhaust gases from gasoline engines(9). 3-Methylbutanal is emitted at a rate of 5 mg/km in heavy-duty diesel exhaust, sampled in Stockholm, Sweden(10).

Three gravity cores taken from Walvis Bay (near Southwest Africa) contained 3-methylbutanal at the following concentrations and depths (ng/g (cm)): station 1 (46 meter water depth): 0.54 (4-8), 3.2 (28-32), 0.67 (52-56), 0.12 (76-80); station 2 (146 meter water depth): 0.36 (50), 1.6 (87-92), 1.0 (107-112), 2.7 (147-152), 1.5 (187-192), 1.1 (222-230); station 3 (97 meter water depth): 9.0 (4-8), 10.4 (8-12), 2.7 (12-16), 2.7 (16-20), 0.9 (20-24), 1.1 (24-28), 0.5 (28-32), 0.2 (32-36), 0.5 (36-40), and 0.5 (40)(1).

URBAN/SUBURBAN: 3-Methylbutanal, was not detected at Patission Street, Athens, Greece nor Likovrisi, Greece, sampled from June to December 2000(1). 3-Methylbutanal was detected at average concns of 3.426-20.627 ug/cu m in Rio de Janeiro, Brazil Oct 1999 to Nov 2000(2). 3-Methylbutanal was detected in 13 of 13 samples taken across the US (3 in LA, 4 in TX, 5 in VT, 1 in NJ) from Sept 1996 to Aug 1997 at <1 ppb(3). 3-Methylbutanal was detected in 4 of 8 winter and 2 of 18 summer samples at 0.0-0.10 ppb and 0.01-0.08 ppb taken in the greater Boston, MA area in 1993(4). 3-Methylbutanal was detected in Santiago, Chile atmospheric samples at <0.04-0.19 ppbv in Nov 2003(5). 3-Methylbutanal has been found in air at avg concns of 0.22, 0.04, and 0.04 ppb on two busy streets and a calm street in Stockholm, Sweden(6).

INDOOR AIR: 3-Methylbutanal was detected in 13 of 14 winter and 7 of 26 summer samples at 0.04-1.1 ppb and 0.0-1.0 ppb taken in the greater Boston, MA area in 1993(1). 3-Methylbutanal was detected in indoor and outdoor air from suburban New Jersey residential microenvironments at mean concns of 0.37 ppb indoors (kitchen area) and 0.41 ppb outdoors (backyard)(2).

RURAL/REMOTE: 3-Methylbutanal was detected on a small island in Stockholm, Sweden and a recreation area 12 km from Stockholm at 0.05 ppb(1).

3-Methylbutanal has been detected in coffee aroma(1), in the extract of edible Korean Chamchwi(2), in blue cheese aroma(3), as a flavor constituent in gari(4), as a volatile component of Beaufort cheese(5), in cured pork(6), in bacon pork, smoke, and flavor(7) in roasted filberts(8), in chick pea(9), in volatiles from pork, mutton, chicken and beef(10) in beef sukiyaki from the beef and soy sauce(11), in Italian-type dry-cured ham(12), and in fried chicken(13). 3-Methylbutanal has also been detected as a flavor volatile from cooked sweet corn at the following concns: canned cream corn (10 ppb), canned kernel (19 ppb), frozen kernel (7 ppb), and fresh kernel (<4 ppb)(14). 3-Methylbutanal has been found as a volatile component of scrambled eggs using eggs from the supermarket packed in polystyrene (122 ng/g), fresh eggs, not stored (126 ng/g), and fresh eggs stored in polystyrene for two weeks (16 ng/g)(15). 3-Methylbutanal was also found as a volatile component of polystyrene egg cartons(15). 3-Methylbutanal was found in popcorn using wet extraction method at 1200 ug/kg and dry extraction method at 430 ug/kg(16). Commercial rice cakes were found to contain 440-620 ppb of 3-methylbutanal(17). 3-Methylbutanal was measured at 9720 ng/g, 77,100 ng/g, 22,100 ng/g and 12,400 ng/g in anchovy paste, big eyed herring paste, hair tail viscera paste, and shrimp paste, respectively(18). 3-Methylbutanal was detected in whole and ground musty sorghum with direct helium-purge method and with supercritical fluid extraction method(19).

ENVIRONMENTAL: 3-Methylbutanal was detected, not quantified, in cold storage, store bought milk in Australia(1).

Occupational exposure to 3-methylbutanal may occur through inhalation and dermal contact with this compound at workplaces where 3-methylbutanal is produced or used. Monitoring data indicate that the general population may be exposed to 3-methylbutanal via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with products containing 3-methylbutanal. (SRC)

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.

Flammable Liquid

UN Hazard Class: 3; UN Pack Group: II