Isobutyl isobutyrate

144.21

144.21

1701355

202-612-5

Y495J99R5D

6538

2528

DTXSID6026612

COLORLESS LIQUID

2915900090

26.3

2.47

Clear Liquid

0.8750 g/cm³ @ Temp: 0 °C

-80.66 °C

148.6 °C

99 °F

1.410

soluble in water (1 g/L at 20oc).

Flammables area

1 mm Hg ( 39.9 °C)

4.97 (AIR= 1)

Oral-Rat LD50: 12800 mg/kg; Oral-Mouse LD50: 12750 mg/kg

In case of fire, high temperature, oxidant is more flammable; burning produces irritating smoke

1.2%(V)

FRUITY ODOR

10 MM HG @ 38 °C

Highly flammable. Insoluble in water.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Highly Flammable

ISOBUTYL ISOBUTYRATE, [FLAMMABLE LIQUID] reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.

810 °F (432 °C)

LOWER FLAMMABLE LIMIT: 0.96% BY VOLUME; UPPER FLAMMABLE LIMIT: 7.59% BY VOLUME

III

3

UN 2528 3/PG 3

2

10-36/37/38

16-26-36

NQ5250000

Xi

Treasury is ventilated, low temperature and dry; stored separately from oxidant

P261-P305 + P351 + P338

H226-H315-H319-H335

It may react with oxidizing material.

Isobutyl isobutyrate is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient. Synthetic flavoring substances and adjuvants /incl isobutyl isobutyrate/ may be safely used in food.

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. Behavior in Fire: Vapors can flow along surfaces to distant ignition source and flash back. (USCG, 1999)|Flammable - 3rd degree

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1924 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: As an 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 car or tank truck 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, 2016)

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in 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, 2016)

Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)|Wear appropriate chemical protective gloves, boots, and goggles. Wear positive pressure self-contained breathing apparatus.

EXTINGUIHING METHOD: "ALCOHOL" FOAM|If material /is/ on fire or involved in /a/ fire do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemial or carbon dioxide.

If material /is/ not on fire and not involved in /a/ 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. Use water spray to knock-down vapors.|Avoid breathing vapors. Keep upwind. Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.|If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.

/GUIDE 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ 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 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. 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 130: FLAMMABLE LIQUIDS (Non-Polar/Water-Immiscible/Noxious)/ 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 2-METHYLPROPYL ISOBUTYRATE (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

| 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.| 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.

practically nontoxic

REPORTED FOUND IN THE ESSENTIAL OIL OF HOPS AND IN VITIS VINIFERA.|OF THE 22 CONSTITUENTS ISOLATED FROM ERIOCEPHALUS PUNCTULATUS OIL 50% WERE ESTERS. 2-METHYLBUTYL ISOBUTYRATE & ISOBUTYL ISOBUTYRATE WERE THE MOST PREVALENT COMPOUNDS, COMPRISING 10.2% & 6.5% OF OIL, RESPECTIVELY.|FIFTEEN CMPD WERE CHARACTERIZED IN THE VOLATILE FRACTION OF ESSENTIAL OIL OF ERIOCEPHALAE PUNCTULACTUS, AMONG THEM 7 ESTER & 7 NONSAPONIFIABLE CMPD.|2-Methylpropyl isobutyrate as been identified as a volatile constituent of strawberries, cantaloupes, and muskmelons(1-3). It has also been identified in the essential of Heracleum persicum and Chamaemelum nobile plants(4-5).

2-Methylpropyl isobutyrate's use as a solvent in lacquers, thinners and other coating compositions(1-2) can result in release directly to the atmosphere through evaporation(SRC).

TERRESTRIAL FATE: By analogy to other aliphatic esters(1,2), biodegradation is expected to be an important degradation process for 2-methylpropyl isobutyrate in soil(SRC). Based upon an estimated Koc of 98, 2-methylpropyl isobutyrate is expected to leach readily in soil(3,SRC). If rapid biodegradation occurs, the importance of leaching will be lessened. 2-Methylpropyl isobutyrate's vapor pressure of 4.33 mm Hg at 25 °C(4) suggests that the compound will evaporate from solid surfaces(SRC).|AQUATIC FATE: By analogy to other aliphatic esters(1-2), biodegradation is expected to be an important degradation process for 2-methylpropyl isobutyrate in water. Volatilization from water may be an important transport process. The volatilization half-lives from a model environmental river (1 meter deep) and model pond have been estimated to be 4.8 hrs and 3 days, respectively(3-4,SRC). Aquatic bioconcentration and adsorption to sediment are not expected to be important(SRC). Aqueous hydrolysis will be important only in very alkaline (pH > 8.5) environmental waters(SRC).|ATMOSPHERIC FATE: Based upon a vapor pressure of 4.33 mm Hg at 25 °C(1), 2-methylpropyl isobutyrate is expected to exist almost entirely in the vapor-phase in the ambient atmosphere(2,SRC). It will degrade in the ambient atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 3.4 days(3,SRC).

The rate constant for the vapor-phase reaction of 2-methylpropyl isobutyrate with photochemically produced hydroxyl radicals has been experimentally determined to be 4.73X10-12 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 3.4 days at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC). The aqueous hydrolysis rate constant has been estimated to be 0.02383 L/mole-sec at 25 °C(2) which corresponds to aqueous hydrolysis half-lives of 9.22 yrs, 336 days and 33.6 days at pH 7, 8 and 9, respectively(2,SRC).

Based upon a water solubility of 1000 mg/L at 20 °C(1), the BCF for 2-methylpropyl isobutyrate can be estimated to be 12.2 from a recommended linear regression-derived equation(2,SRC). This estimated BCF indicates that bioconcentration in aquatic organisms is not important(SRC).

Based upon a water solubility of 1000 mg/L at 20 °C(1), the Koc for 2-methylpropyl isobutyrate can be estimated to be 98 from a linear regression-derived equation(2,SRC). This Koc estimation indicates high soil mobility(3).

Based upon a water solubility of 1000 mg/L(1) and a vapor pressure of 4.33 mm Hg at 25 °C(2), the Henry's Law constant for 2-methylpropyl isobutyrate can be estimated to be 8.22X10-4 atm cu m/mole; a Henry's Law constant of this magnitude indicates that volatilization from environmental waters is important, but may not be rapid(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 4.8 hours(3,SRC). The volatilization half-life from a model environmental pond (2 meters deep) can be estimated to be about 3 days(4,SRC). 2-Methylpropyl isobutyrate has a relatively high vapor pressure(2) which suggests that evaporation from dry surfaces will occur(SRC).

SURFACE WATER: 2-Methylpropyl isobutyrate has been detected in the aquatic ecosystem of the Western Basin of Lake Superior(1); concs, sampling dates, and sample types (water, whole water or sediment) were not reported(SRC).

2-Methylpropyl isobutyrate has been identified as a volatile constituent of strawberries, cantaloupes and muskmelons(1-3).

2-Methylpropyl isobutyrate has been identified as a volatile constituent of strawberries, cantaloupes and muskmelons(1-3); therefore, the general population will be exposed through ingestion of fruits and other foods which contain 2-methylpropyl isobutyrate as a natural constituent. Inhalation exposure will occur from its use as a solvent in lacquers, thinners and other coating compositions. Occupational exposure can occur through inhalation of vapor and dermal contact(SRC).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 47,530 workers are potentially exposed to 2-methylpropyl isobutyrate in the USA(1). NIOSH (NOHS Survey 1972-1974) has statistically estimated that 39,410 workers are potentially exposed to 2-methylpropyl isobutyrate in the USA(2). Mean air levels of 0.1-0.4 ppm 2-methylpropyl isobutyrate were detected inside three US factories involved in spray painting and spray glueing operations(3); the highest sample conc, highest TWA and avg TWA were 5.2, 5.0, and 1.7 ppm, respectively(3).

Exposure can cause irritation of eyes, nose and throat. Toxic by inhalation. (USCG, 1999)

Get medical attention. INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. EYES: Flush with water for at least 15 min., lifting lids occasionally. SKIN: Remove contaminated clothing and shoes. Wash with soap and water. (USCG, 1999)

All other basic organic chemical manufacturing|Propanoic acid, 2-methyl-, 2-methylpropyl ester: ACTIVE|ASSAY: 98% MIN.

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]|Fire Hazards -> Flammable - 3rd degree

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;