Isobutyl acetate
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Isobutyl acetate
structure -
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CAS No:
110-19-0
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Formula:
C6H12O2
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Chemical Name:
Isobutyl acetate
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Synonyms:
Acetic acid,2-methylpropyl ester;Acetic acid,isobutyl ester;Isobutyl acetate;β-Methylpropyl ethanoate;2-Methylpropyl acetate;NSC 8035
- Categories:
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CAS No:
Description
It is a water-white liquid with soft fruit ester flavor. It is miscible with a variety of organic solvents such as alcohols, ethers and hydrocarbons. Isobutyl acetate has a fruity (currant–pear), floral (hyacinth–rose) odor and a characteristic ether-like, slightly bitterflavor. CLEAR LIQUID Isobutyl acetate is a colorless liquid with a fruit fl avor. Isobutyl acetate is moisture sensi tive, incompatible with ignition sources, moisture, excess heat, strong oxidizing agents, and strong b
Isobutyl acetate appears as a clear colorless liquid with a fruity odor. Flash point 64°F. Less dense than water (6.2 lb / gal) and insoluble in water. Vapors are heavier than air .|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|colourless liquid with a fruity, banana-like odour on dilution|Colorless liquid with a fruity, floral odor.
Isobutyl acetate appears as a clear colorless liquid with a fruity odor. Flash point 64°F. Less dense than water (6.2 lb / gal) and insoluble in water. Vapors are heavier than air .|Isobutyl acetate is the acetate ester of isobutanol. It has a role as a Saccharomyces cerevisiae metabolite. It derives from an isobutanol.
Isobutyl acetate Basic Attributes
116.16
116.16
1741909
203-745-1
7CR47FO6LF
0494
8035
1213
DTXSID5026837
Colorless liquid
2915 39 00
Characteristics
26.3
1.60
Clear Liquid
0.8712 g/cm3 @ Temp: 20 °C
-98.8 °C
116.5 °C
71 °F
n 20/D 1.39(lit.)
H2O: 7 g/L (20 ºC)
Flammables area
15 mm Hg ( 20 °C)
>4 (vs air)
Oral-Rat LD50: 13400 mg/kg
Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke
2.4-10.5%(V)
Fruit-like odor
CHARACTERISTIC ETHER-LIKE, SLIGHTLY BITTER FLAVOR
Neutral
5.50e-12 cm3/molecule*sec
4.54e-04 atm-m3/mole|Henry's Law constant = 4.54X10-4 atm-cu m/mol at 25 °C
Dissolve a wide variety of resins and plastics.|Hydroxyl radical reaction rate constant = 5.52X10-12 cu-cm/molc sec at 25 °C
Highly flammable. Insoluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Highly Flammable
ISOBUTYL ACETATE reacts exothermically with acids to give alcohols and other acids. May react sufficiently exothermically with strong oxidizing acids to ignite the reaction products. Reactions with bases also generate heat. Combination with strong reducing agents (alkali metals and hydrides) generates flammable hydrogen.
793 °F (USCG, 1999)|421 °C (790 °F)|421 °C
-13,000 Btu/lb = -7220 cal/g = -302X10+5 J/kg (est)
9.97 eV
Lower flammable limit: 1.3% by volume; Upper flammable limit: 10.5% by volume|Class IB Flammable Liquid: Fl.P. below 73°F and BP at or above 100°F.
The vapour mixes well with air, explosive mixtures are easily formed.
35.9 kJ/mol at bp
Critical temperature: 562 K; critical pressure: 2.97 MPa
Safety Information
II
3
UN 1213 3/PG 2
1
11-66
16-23-25-29-33
AI4025000
F
Treasury is ventilated, low temperature and dry; stored separately from oxidant
Explosive when mixed with air
Heat /contributes to instability/.
P210-P370 + P378-P403 + P235
H225-H336
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 and plant life; and conformance with environmental and public health regulations.|Isobutyl acetate is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.|SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.|/Proposed methods of disposal should be used on statutory requirements of the state where disposal is to occur. The usual methods would be expected to include:/ 1) Absorbing in vermiculite, dry sand, earth or a similar material and disposing in a secured sanitary landfill. 2) Atomizing in a suitable combustion chamber.|The following wastewater treatment technologies have been investigated for Isobutyl acetate: Concentration process: Activated carbon.
Contact with nitrates, strong oxidizers, strong alkalies, and strong acids may cause fires and explosions.|Nitrates; strong oxidizers, alkalis and acids.
Isobutyl acetate 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. Isobutyl acetate synthetic flavoring substances & adjuvants may be safely used in food in accordance with the following conditions ... They consist of one or more of the following /substances including isobutyl acetate/ used alone or in combination with flavoring substances generally recognized as safe in food, or regulated by an appropriate section in this part.
OPDYKE DL J; FOOD COSMET TOXICOL 16 (ISS SUPPL 1): 795 (1978). A REVIEW WITH 18 REFERENCES ON ISOBUTYL ACETATE INCL TOXICITY, IRRITATION, SENSITIZATION, THRESHOLD LIMIT VALUE & CYTOTOXICITY.
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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. (ERG, 2016)|Highly flammable. Vapour/air mixtures are explosive.|Flammable - 3rd degree
|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger 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|Aggregated GHS information provided by 2884 companies from 28 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, P261, P264, P271, P280, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P332+P313, P337+P313, P370+P378, P403+P235, and P501
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / 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 129 [Flammable Liquids (Water-Miscible / 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)
Skin: Wear appropriate personal protective clothing to prevent skin contact. Eyes: Wear appropriate eye protection to prevent eye contact. Wash skin: The worker should immediately wash the skin when it becomes contaminated. Remove: Work clothing that becomes wet should be immediately removed due to its flammability hazard(i.e. for liquids with flash point Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.|PROTECTIVE CLOTHING AND BARRIER CREAMS.|Air pack or organic canister mask, chemical goggles|Wear boots.|For more Personal Protective Equipment (PPE) (Complete) data for ISOBUTYL ACETATE (10 total), please visit the HSDB record page.|(See protection codes)
A very dangerous fire and moderate explosion hazard when exposed to heat, flame, or oxidizers.|Highly flammable liquid
Lower explosive limit: 1.3%; Upper explosive limit: 10.5%|Lower 2.4%; Upper 10.5%|A very dangerous fire and moderate explosion hazard when exposed to heat, flame, or oxidizers.|Explosive limits , vol% in air: 1.3-10.5
To fight fire, use alcohol foam, CO2, dry chemical.|Water may be ineffective on fire /involving isobutyl acetate/. Cool exposed containers 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 spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.|Fire Fighting: Use self-contained breathing apparatus with a full facepiece operated in pressure-demand or other positive pressure mode.
Flashback along vapor trail may occur.|The vapors are heavier than air.
1. Remove all ignition sources. 2. Ventilate area of spill or leak. 3. For small quant, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear the hood ductwork. Burn the paper in a suitable location away from combustible materials. Large quantities can be collected and atomized in a suitable combustion chamber. Isobutyl acetate should not be allowed to enter a confined space, such as a sewer, because of the possibility of an explosion.|Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder. Apply appropriate foam to diminish vapor and fire hazard.|Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill motion. Use surface active agent (eg detergent, soaps, alcohols), if approved by the EPA.. Inject "universal" gelling agent to solidify encircled spill and increase effectiveness of booms. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount . Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.|Environmental considerations: Air spill: Apply water spray to mist to knock down vapors.
SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits 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.|VENTILATION CONTROL: THE BASIC VENTILATION METHODS ARE LOCAL EXHAUST VENTILATION AND DILUTION OR GENERAL VENTILATION.|... SUBSTITUTION OF LESS IRRITATING SUBSTANCES ... REDESIGN OF OPERATIONS ... PREVENT CONTACT, PROVISION OF A PHYSICAL BARRIER AGAINST CONTACT, PROPER WASHING FACILITIES, WORK CLOTHING AND STORAGE FACILITIES ...|Employees should wash promptly when skin is wet or contaminated. Remove clothing immediately if wet or contaminated to avoid flammability hazard.|For more Preventive Measures (Complete) data for ISOBUTYL ACETATE (12 total), please visit the HSDB record page.
/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/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 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/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 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/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 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/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 ISOBUTYL ACETATE (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.
A skin and eye irritant.
Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 150 ppm (700 mg/cu m).
Recommended Exposure Limit: 10 Hour Time-Weighted Average: 150 ppm (700 mg/cu m).
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Remove all ignition sources. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Fireproof. Separated from strong oxidants, strong bases and strong acids.
A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
The vapour is mildly irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause lowering of consciousness.
The substance defats the skin, which may cause dryness or cracking.
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, local exhaust or breathing protection.
Protective gloves.
Wear safety spectacles.
This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isobutyl acetate is produced, as an intermediate or final product, by process units covered under this subpart.
| 1 - Materials that, under emergency conditions, can cause significant irritation.| 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.| 0 - Materials that in themselves are normally stable, even under fire conditions.
Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).
Isobutyl acetate was detected at a mean concentration of 0.23 ug/cu m in the effluent of a waste incinerator in Germany(1). An accidental spill at the BASF plant in Germany released an unspecified concentration of isobutyl acetate into the Rhine River in 1991(2). Isobutyl acetate was identified, not quantified, in the effluent of common household waste(3). UK emissions of isobutyl acetate were reported as 0.44% by mass distribution in 1990(4). Isobutyl acetate was detected in 15 of 44 furniture emission samples(5). Isobutyl acetate was detected but not quantified in the emissions of kitchen waste, kitchen waste exudate and stored food exudate(6).
URBAN/SUBURBAN: Isobutyl acetate was detected at four air monitoring locations in the Netherlands during 1979-81 monitoring with mean concentrations of 1.8-10 ppb reported in the Delft samples(1).|INDOOR: Isobutyl acetate was detected at a concentration of 100 ug/cu m in a home located in northern Italy(1).|SOURCE DOMINATED: Isobutyl acetate was reported in paint mixing area of six auto-painting garages at 0.2 to 0.7 ppm(1).
Isobutyl acetate was detected in feed silage head-space samples from a large-size commercial dairy located in Yolo County, CA; corn silage 3.10 nL/L and high moisture ground corn 0.28 nL/L(1). Isobutyl acetate was not found in alfalfa silage, cereal silage, almond hulls or almond shells head-space samples(1).
Toxicity
nontoxic
LD50 Rabbit dermal >5000 mg/kg bw|LD50 Rabbit dermal >17400 mg/kg bw|LC50 Rat inhalation > 14.72 mg/L /6 hr|LC50 Rat inhalation >13.24 mg/L /6 hr|For more Non-Human Toxicity Values (Complete) data for ISOBUTYL ACETATE (7 total), please visit the HSDB record page.
Isobutyl acetate has been identified in apples(1), nectarines(2) and bananas(3), and may be released into the environment as a plant volatile(SRC). It is found in a few natural products such as the wood-rotting fungus Endoconidiophora coerulescens(4), raspberry, pear, pineapple and natural cocoa aroma(5).
Isobutyl acetate's production and use as a solvent for nitrocellulose; in thinners, sealants, and topcoat lacquers; in perfumery; and as a flavoring agent(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 16(SRC), determined from a structure estimation method(2), indicates that isobutyl acetate is expected to have very high mobility in soil(SRC). Volatilization of isobutyl acetate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 4.54X10-4 atm-cu m/mole(3). Isobutyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 17.8 mm Hg at 25 °C(4). Biodegradation is expected to occur based upon theoretical BODs of 60% and 81% in 5- and 20-day, respectively, fresh water dilution tests(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 16(SRC), determined from a structure estimation method(2), indicates that isobutyl acetate 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 4.54X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5.2 hours and 4.9 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its log Kow of 1.78(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation is expected to occur based upon theoretical BODs of 60% and 81% in 5- and 20-day, respectively, fresh water dilution tests(8). Hydrolysis is expected to occur slowly based upon estimated hydrolysis half-lives of 3 years and 122 days at pH 7 and 8, respectively(9).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isobutyl acetate, which has a vapor pressure of 17.8 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isobutyl acetate 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 2.9 days(SRC), calculated from its rate constant of 5.52X10-12 cu cm/molecule-sec at 25 °C(3). Isobutyl acetate does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
The rate constant for the vapor-phase reaction of isobutyl acetate with photochemically-produced hydroxyl radicals has been reported as 5.52X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 2.9 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.07 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 3 years and 122 days at pH values of 7 and 8, respectively(2). Isobutyl acetate does not contain chromophores that absorb at wavelengths >290 nm(3) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
An estimated BCF of 7 was calculated in fish for isobutyl acetate(SRC), using a log Kow of 1.78(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).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl acetate can be estimated to be 16(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl acetate is expected to have very high mobility in soil.
The Henry's Law constant for isobutyl acetate is reported as 4.54X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that isobutyl acetate is expected to volatilize from water surfaces(2). 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)(2) is estimated as 5.2 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)(2) is estimated as 4.9 days(SRC). Isobutyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isobutyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 17.8 mm Hg(3).
GROUNDWATER: Isobutyl acetate was qualitatively detected in groundwater beneath underground storage tanks of solvents at a paint factory in Italy(1).|SURFACE WATER: Isobutyl acetate was identified, not quantified, in 1 out of 8 rivers studied in Germany(1).
Isobutyl acetate has been identified, not quantified, in apples(1), nectarines(2), store bought milk(3) and bananas(4).
Isobutyl acetate has been identified, not quantified, in store purchased milk(1).
According to the 2006 TSCA Inventory Update Report, the number of workers reasonably likely to be exposed in the industrial manufacturing, processing, and use for isobutyl acetate is 1000 or greater persons; the data may be greatly underestimated(1).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 121,883 workers (30,203 of these are female) are potentially exposed to isobutyl acetate in the US(1). Occupational exposure may be through inhalation and dermal contact with this compound at workplaces where isobutyl acetate is produced or used(SRC). Isobutyl acetate was identified in 5% of printing operations, 17% of painting operations, 45% of auto repair shops and 13% of miscellaneous industries in Belgium(2). Isobutyl acetate was detected in the breathing zone of an automobile paintshop in Spain at concns of 37.6, 109.6, and 134.0 mg/cu m(3) and in shoe and leather factories in Italy at concentrations of 0.2-1.6 mg/cu m(4). A mean concentration of 0.1 ppm was detected in the workplace air of a US company performing spray painting and glueing(5). The general population may be exposed to isobutyl acetate through the ingestion of food sources that contain this compound(SRC).
Drug Information
Upon absorption by the body it can hydrolyze to acetic acid and isobutanol.
Vapors may irritate upper respiratory tract and cause nausea, vomiting, dizziness and loss of consciousness. Liquid irritates eyes and may irritate skin. (USCG, 1999)
Eye: If this chemical contacts the eyes, immediately wash the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Contact lenses should not be worn when working with this chemical. Skin: If this chemical contacts the skin, flush the contaminated skin with water promptly. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water promptly. If irritation persists after washing, get medical attention. Breathing: If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform mouth-to-mouth resuscitation. Keep the affected person warm and at rest. Get medical attention as soon as possible. Swallow: If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2016)|(See procedures)
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
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. /Esters 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. Provide a low-stimulus environment. Monitor for shock and treat if necessary ... . Anticipate seizures 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 ... . Treat frostbite by rapid rewarming ... . /Esters 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 ... . 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. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Esters and related compounds/
/HUMAN EXPOSURE STUDIES/ No evidence of irritation (in a 48 hr closed-patch test) or sensitization (in a maximization test with 28 volunteers) was reported for isobutyl acetate (2% in petrolatum).|/SIGNS AND SYMPTOMS/ Vapor may irritate upper resp tract and cause nausea, vomiting, dizziness, and loss of consciousness. Liquid irritates eyes and may irritate skin.|/SIGNS AND SYMPTOMS/ Overexposure to isobutyl acetate may cause irritation of the eyes, nose, and throat. Severe overexposure may cause weakness, drowsiness, and unconsciousness. Prolonged overexposure may produce irritation of the skin.|/SIGNS AND SYMPTOMS/ In man, exposure to concentrations of 950 ppm for 30 min causes irritation of the nose and eyes, headaches and weakness. The principal symptoms in cases of occupational exposure are headaches and irritation of the mucous membranes of the nose and of the conjunctiva. Other symptoms mentioned include vertigo, palpitations, gastrointestinal disorders, anemia, cutaneous lesions, dermatitis and affections of the liver.
isobutyl acetate
The substance can be absorbed into the body by inhalation of its vapour.|inhalation, ingestion, skin and/or eye contact
irritation eyes, skin, upper respiratory system; headache, drowsiness, anesthesia; In Animals: narcosis
Cough. Sore throat. Dizziness. Headache.
Dry skin.
Redness.
Eyes, skin, respiratory system, central nervous system
Isobutyl acetate Use and Manufacturing
Obtained from the direct esterification of isobutanol and acetic acid in the presence of a catalyst.
It is mainly used as a diluent for nitrocellulose paint and perchlorovinyl lacquer, and also as a solvent. It can also be used as a diluent for plastic printing paste, an extractant in the pharmaceutical industry, etc.; as a solvent for nitrocellulose and paint This product has the aroma of raw pear and raspberry, and is often used as a fruit flavor for the preparation of banana, pineapple, raspberry and pear flavors. Also used as a blending agent for roses. Used as a diluent for nitrocellulose paint and perchlorovinyl lacquer, also as a solvent, and also as a diluent for plastic printing paste, an extractant in the pharmaceutical industry, etc.; GB2760-96 is a permissible food flavor. Mainly used to prepare banana, raspberry, strawberry and cream flavors; nitrocellulose and lacquer solvents. This product has the aroma of raw pear and raspberry, and is often used as a fruit flavor for the preparation of banana, pineapple, raspberry and pear flavors. Also used as a blending agent for roses. Organic solvents, nitrocellulose and lacquer solvents, extraction agents, dehydrating agents. Used in collodion, nitrocellulose, varnish, artificial leather, medicine, plastics and perfume industries.
Intermediates
Air care products
50,000,000 - 100,000,000 lb|(1972) LESS THAN 6.08X10+10 GRAMS (EST)|(1975) GREATER THAN 4.54X10+5 GRAMS|(1984) 3.8X10+10 g|Acetic acid, 2-methylpropyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).|For more U.S. Production (Complete) data for ISOBUTYL ACETATE (6 total), please visit the HSDB record page.
Grades: Technical; solvent; perfume; FCC /food chemicals codex/.|Grade or purity: 95-99+%
All other basic organic chemical manufacturing|Acetic acid, 2-methylpropyl ester: ACTIVE|In public use since the 1920s. Use in fragrances in the US amounts to approximately 5000 lb/yr
Method: NIOSH 1450, Issue 3; Procedure: gas chromatography with flame ionization; Analyte: isobutyl acetate; Matrix: air; Detection Limit: 0.9 ug/sample.|Method: OSHA 1009; Procedure: gas chromatography with flame ionization detector; Analyte: isobutyl acetate; Matrix: air; Detection Limit: 28.0 picograms.|A gas chromatographic method for the analysis of isobutyl acetate, consists of a stainless steel column, 3 m x 3 mm, packed with Chromosorb WHP (100/120 mesh) coated with 5% FFAP, with hydrogen-air flame ionization detection, and nitrogen as the carrier gas at a flow rate of 30 mL/min, is a NIOSH approved method. A sample injection volume of 5 uL is suggested, the column temperature is 70 °C and a detector temperature of 250 °C. This method has a detection limit of 0.02 mg/L and a relative standard deviation of 0.02, over a working range of 70-2100 mg/cu m for a 10 liter sample.
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fire Hazards -> Flammable - 3rd degree|Cosmetics -> Solvent
Flavoring Agents
Computed Properties
Molecular Weight:116.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:76.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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