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Isoamyl acetate

Isoamyl acetate structure

Isoamyl acetate 

structure
  • CAS No:

    123-92-2

  • Formula:

    C7H14O2

  • Chemical Name:

    Isoamyl acetate

  • Synonyms:

    1-Butanol,3-methyl-,1-acetate;Isopentyl alcohol,acetate;1-Butanol,3-methyl-,acetate;Acetic acid,isoamyl ester;Banana oil;Isoamyl ethanoate;Isopentyl acetate;3-Methylbutyl acetate;Pear oil;Acetic acid 3-methylbutyl ester;i-Amyl acetate;3-Methyl-1-butyl acetate;Isopentyl ethanoate;Isoamyl acetate;iso-Amyl acetate;Isoamyl alcohol acetate;3-Methyl-1-butanol acetate;Acetic acid isopentyl ester;NSC 9260;iso-Pentyl acetate;3-Methylbutyl ethanoate;Acetic acid 3-methyl-1-butyl ester;T 615B;T 815A;29732-50-1

  • Categories:

    Cosmetic Ingredient  >  Dissolving Agent

Description

Colorless liquid with a banana-like odor.


Iso-amyl acetate is an oily liquid; colorless; banana odor. Floats and mixes with water. Flammable, irritating vapor is produced . (USCG, 1999)|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|Colourless liquid with a fruity, pear, banana-like odour|Colorless liquid with a banana-like odor.


Iso-amyl acetate is an oily liquid; colorless; banana odor. Floats and mixes with water. Flammable, irritating vapor is produced . (USCG, 1999)|Isoamyl acetate is the acetate ester of isoamylol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It derives from an isoamylol.

Isoamyl acetate Basic Attributes

130.18

130.18

204-662-3

Z135787824

0356

9260

1104

DTXSID9025453

Colorless neutral liquid

2915390090

Characteristics

26.3

2

Iso-amyl acetate is an oily liquid; colorless; banana odor. Floats and mixes with water. Flammable, irritating vapor is produced . (USCG, 1999)

0.876 g/cm3 @ Temp: 15 °C

-78.5 °C

142.5 °C

77 °F

1.399-1.401

H2O: 0.20 g/100 mL. Slightly soluble ;ethanol: soluble 1ml/3ml, clear, colorless (60%ethanol)

Flammables area

5 mm Hg ( 25 °C)

4.5 (vs air)

Oral-rat LD50: 16600 mg/kg

Flammable; spicy and irritating smoke is released in the fire

1-10%(V)

Pear-like odor

Bittersweet taste reminiscent of pear ... Taste characteristics at 30 ppm: sweet fruity, banana-like with a green ripe nuance.

5.87e-04 atm-m3/mole|Henry's Law constant = 5.87X10-4 atm-cu m/mol

1 MG/L IS EQUIVALENT TO 188 PPM; 1 PPM IS EQUIVALENT TO 5.32 MG/CU M|The ordinary grade of commerce boils between 120 to 145 °C|YELLOWISH LIQUID /COMMERCIAL PRODUCT/|Heat of combustion: -1042.5 kcal/g mol at 20 °C /Amyl acetate/|For more Other Experimental Properties (Complete) data for ISOAMYL ACETATE (10 total), please visit the HSDB record page.

Highly flammable. Insoluble in water.

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

Highly Flammable

ISO-AMYL ACETATE is an ester. Esters react 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 of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound can react violently with oxidizing materials, nitrates, strong alkalis and strong acids. (NTP, 1992)

680 °F (USCG, 1999)|680 °F|360 °C

-14,402 Btu/lb = -8000 cal/g

In air % by vol: lower 1.0 at 212 °F; upper 7.5|Class IC Flammable Liquid: Fl.P. at or above 73°F and below 100°F.

10,494.9 g cal/g mol (multiply by 4.184 for J/g mol)

Critical temperature: 326.1 °C; Critical pressure: 28 atm

Safety Information

III

3

UN 1104 3/PG 3

1

10-66-36/37/38-R66-R10

23-25-2-36/37/39-26-16-S25-S23-S2

NS9800000

Xi

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

Steam and air can be explosive when mixed

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

H226

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.|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.|Amyl acetate is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration. /Amyl acetate/

...can react vigorously with reducing materials.|Nitrates; strong oxidizers, alkalis & acids.

Isoamyl acetate is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and b) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

Morel C et al; n-Amyl acetate, sec-amyl acetate, isoamyl acetate; Cahiers de notes documentaires - Securite et hygiene du travail 4th quarter No. 209 595-8 (1982). A review on isoamyl acetate and other acetates.|Ministerie van Sociale Zaken en Wekgelengenheid, p17 (1990). Health-based recommended occupational exposure limits for amyl acetate.

FLAMMABLE. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area. When heated emits acrid fumes. When exposed to flames can react vigorously with reducing materials. (USCG, 1999)|Flammable. Above 25 °C explosive vapour/air mixtures may be formed.|Flammable - 3rd degree

|Warning|H226 (99.96%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 2832 companies from 21 notifications to the ECHA C&L Inventory.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, and P501|Danger|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P314, P332+P313, P337+P313, P370+P378, P403+P233, P403+P235, P405, 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)

Shut off ignition sources ... Stop discharge if possible. Keep people away. Avoid contact with liquid and vapor. Stay upwind and use water spray to ``knock down'' vapor. Isolate and remove discharged material. Notify local health and pollution control agencies. (USCG, 1999)

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)|Face shield and safety glasses. Use equipment for eye protection tested and approved under appropriate goovernemtn standards such as NIOSH (US) or EN 166 (EU).|Body protection: Impervious clothing. Flame retardant anitstatic protective clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.|Air-supplied mask or chemical cartridge respirator, protective gloves, goggles, safety shower, & eye bath. /commercial grade/|For more Personal Protective Equipment (PPE) (Complete) data for ISOAMYL ACETATE (11 total), please visit the HSDB record page.|(See protection codes)

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.|Highly flammable liquid when exposed to heat or flame; can react vigorously with reducing materials. Moderately explosive in the form of vapor when exposed to heat or flame.|Flammable liquid

Upper explosion limit: 7.5 %(V); Lower explosion limit: 1 %(V)|Moderately explosive in the form of vapor when exposed to heat or flame.|Explosive limits , vol% in air: 1.0-7.5 (at 100 °C)

...use alcohol foam, carbon dioxide, dry chemical.|/When fighting fire wear/ self-contained breathing apparatus with a full facepiece operated in pressure- demand or other positive pressure mode.|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. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide, or dry chemical. /Amyl acetate/|Use water spray to cool unopened containers.|For more Fire Fighting Procedures (Complete) data for ISOAMYL ACETATE (6 total), please visit the HSDB record page.

Prevent leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided... Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.|Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas.|1) Remove all ignition sources. 2) Ventilate area of spill or leak. 3) For small quantities, absorb on paper towels. Evaporate in safe place (such as fume hood). Allow sufficient time for evaporating vapors to completely clear hood ductwork. Burn paper in suitable location away from combustible materials. Large quantities can be collected & atomized in suitable combustion chamber. Isoamyl acetate should not be allowed to enter confined space, such as sewer, because of possibility of explosion.|Environmental consideration - Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, sawdust, or commerical sorbents. Apply fluorocarbon-water foam to diminish vapor and fire hazard. /Amyl acetate/|For more Cleanup Methods (Complete) data for ISOAMYL ACETATE (6 total), please visit the HSDB record page.

Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Keep away from sources of ignition. -No smoking. Take measures to prevent the build up of electrostatic charge...|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.|Good industrial hygiene practices recommend that engineering controls be used to reduce environmental concn to the permissible exposure level. However, there are some exceptions where respirators may be used to control exposure. Respirators may be used when engineering and work practice controls are not technically feasible, when such controls are in the process of being installed, or when they fail and need to be supplemented. Respirators may also be used for operations which require entry into tanks or closed vessels, and in emergency situations. ... In addition to respirator selection, a complete respiratory protection program should be instituted which includes regular training, maintenance, inspection, cleaning, and evaluation.|Any clothing which becomes wet with liquid isoamyl acetate should be removed immediately and not reworn until the isoamyl acetate is removed from the clothing. Clothing wet with liquid isoamyl acetate should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of isoamyl acetate from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the isoamyl acetate, the person performing the operation should be informed of isoamyl acetate's hazardous properties.|For more Preventive Measures (Complete) data for ISOAMYL ACETATE (9 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. /Amyl acetates/|/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. /Amyl acetates/|/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. /Amyl acetates/|/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. /Amyl acetates/|For more DOT Emergency Guidelines (Complete) data for ISOAMYL 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. /Amyl acetates/|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. /Amyl acetates/

Overexposure to isoamyl acetate may cause irritation of the eyes, nose, and throat.|at 300 ppm in air vapor is noticeably irritating to ... eyes.

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 100 ppm (525 mg/cu m).

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 100 ppm (525 mg/cu m).

Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Fireproof. Separated from strong oxidants.

A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.

The vapour is irritating to the eyes and respiratory tract. Exposure to high concentrations of vapour could cause unconsciousness.

The substance defats the skin, which may cause dryness or cracking.

NO open flames, NO sparks and NO smoking. Above 25 °C use a closed system, ventilation and explosion-proof electrical equipment.

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety goggles.

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. Isoamyl acetate is produced, as an intermediate or a 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).

URBAN/SUBURBAN: Isoamyl acetate was identified, but not quantified, in samples of urban air taken during late fall 1976 from Tuscaloosa, AL(1).|RURAL/REMOTE: Isoamyl acetate was identified, but not quantified, in samples of air taken during late fall 1976 from the Talladega National Forest, AL(1).

Isoamyl acetate was detected but not quantified in household waste(1,2) such as kitchen waste exudate and stored food exudate(3). Isoamyl acetate was identified but not quantified in silage and mixed feed emissions from a commercial dairy located in Yolo County, California(4).|Isoamyl acetate was identified, not quantified, in the volatile emissions of household detergents(1,2) and household waste(3,4).

Toxicity

practically nontoxic

IDENTIFICATION AND USE: At room temperature, the low molecular-weight ester isoamyl acetate (IAA) is a clear liquid with an intense sweet, but pleasant, banana or pear-like odor. In alcohol solutions, mineral waters and syrups it is used as a pear flavor. It is also used as solvent for old oil colors, for tannins, nitrocellulose, lacquers, celluloid and camphor; swelling bath sponges; covering unpleasant odors, perfuming shoe polish; manufacturing artificial silk, leather, or pearls, photographic films, celluloid cements, waterproof varnishes, bronzing liquids, and metallic paints; dying and finishing textiles. Honey bees use IAA as an alarm pheromone, and store IAA in their poison sting. Due to its strong smell, which can be perceived at low concentrations, and because of supposedly low toxicity, IAA is used to test the effectiveness of respirators or gas masks. HUMAN EXPOSURE AND TOXICITY: There is a case of a patient who developed a severe reversible extrapyramidal syndrome after inhalation of IAA. IAA vapor is known to irritate eyes, skin and respiratory tract, and to cause mild unspecific central nervous system symptoms. No evidence of delayed contact hypersensitivity, phototoxicity, or photoallergy due to amyl acetate or IAA was observed in human repeat insult patch test studies. It is concluded that amyl acetate and isoamyl acetate are safe as presently used in cosmetic products. ANIMAL STUDIES: Several drops of liquid amyl acetate squirted on eyes of rabbits & washed off with water 2 min later caused temporary corneal epithelial injury, but recovery was complete in a day or two. Isoamyl acetate given to dogs at 5000 ppm (27 mg/L) for 1 hr caused nasal irritation & drowsiness. Irritation, weakness, and loss of weight was observed in cats exposed to a concentration of 1900 ppm (10 mg/L) for 8 hours for 6 days; 4000 ppm (21 mg/L) for 20 min irritated the eyes and nose; and light CNS depression & delayed death were observed in cats exposed to 7200 ppm (38 mg/L) for 24 hr. IAA is not genotoxic, it tested non-mutagenic in a series of mutagenic assays.

LD50 Rabbit oral 7422 mg/kg

In persons with impaired pulmonary function, especially those with obstructive airway diseases, the breathing of isoamyl acetate might cause exacerbation of symptoms due to its irritant properties. ... Persons with existing skin disorders may be more susceptible to the effects of /isoamyl acetate/. ... Although isoamyl acetate is not known as a kidney toxin in humans, the importance of this organ in the elimination of toxic substances justifies special consideration in those with possible impairment of renal function. ... Although isoamyl acetate is not known as a liver toxin in humans, the importance of this organ in the biotransformation and detoxification of foreign substances should be considered before exposing persons with impaired liver function.

Isoamyl acetate is a plant volatile(1). It has been identified as a constituent in various tissues of several plant species(2), including berries and soybeans(3). Isoamyl acetate is reported as a component in tobacco(4). Analogous amyl acetate is the main component of banana aroma(5), where it is biosynthesized from L-leucine(6).|Isoamyl acetate is a sting pheromone of the honey bee (Apis mellifera)(1).

Isoamyl acetate's production and use as a commercial solvent, and flavoring additive(1) may result in its release to the environment through various waste streams(SRC). Its use as a perfume and fragrance for various consumer products(1) and agent in respirator fit tests(2,3) may result in its direct release to the environment(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 2.25(2) and a regression-derived equation(3), indicates that isoamyl acetate is expected to have high mobility in soil(SRC). Volatilization of isoamyl acetate from moist soil surfaces may be an important fate process(SRC) given a Henry's Law constant of 5.87x10-4 atm-cu m/mole(4). Isoamyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.6 mm Hg at 25 °C(5). Biodegradation data in soil were not available(SRC, 2015). Structurally similar butyl acetate present at 100 mg/L, reached 86% of its theoretical BOD in 2 weeks using an activated sludge inoculum in the Japanese MITI test(6) suggesting that biodegradation of isoamyl acetate may be an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 2.25(2) and a regression-derived equation(3), indicates that isoamyl acetate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon a Henry's Law constant of 5.87 atm-cu m/mole(5). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 2 hours and 5 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 14(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data in water were not available(SRC, 2015). Structurally similar butyl acetate present at 100 mg/L, reached 86% of its theoretical BOD in 2 weeks using an activated sludge inoculum in the Japanese MITI test(7)suggesting that biodegradation of isoamyl acetate 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), isoamyl acetate, which has a vapor pressure of 5.6 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isoamyl 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 5 days(SRC), calculated from its rate constant of 6.0x10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Isoamyl 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 isoamyl acetate with photochemically-produced hydroxyl radicals has been estimated as 6.0x10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 1.0x10-1 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 2 years and 78 days at pH values of 7 and 8, respectively(2). Isoamyl 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 14 was calculated in fish for isoamyl acetate(SRC), using a log Kow of 2.25(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 isoamyl acetate is estimated as 130(SRC), using a log Kow of 2.25(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoamyl is expected to have high mobility in soil.

The Henry's Law constant for isoamyl acetate is 5.87x10-4 atm-cu m/mole. This Henry's Law constant indicates that isoamyl 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)(3) is estimated as 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)(3) is estimated as 5 days(SRC). Isoamyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of isoamyl acetate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 5.6 mm Hg(4).

DRINKING WATER: Isoamyl acetate was identified, not quantified, in drinking water sampled in 1976 from municipal drinking water plants in Miami, Florida and Seattle, Washington(1).|SURFACE WATER: Isoamyl acetate was identified, not quantified, in Rickenbach East brook which flows into Lake Constance located in West Germany(1).

Isoamyl acetate was identified, not quantified, in nectarines(1), bananas(2), kiwi fruit(3), pork volatiles(4,5) and cheese products from the French Alps(6). Isoamyl acetate has been identified, not quantified, in whiskey(7), beer(8,11) and cognac(9,11). US lager beers have reported ester concentrations, such as isoamyl acetate, ranging from 25-50 ppm(10). Isoamyl acetate has been reported in apple, apricot, banana, currants, guava, grape, berries, melon, papaya, peach, pear, pineapple, sauerkraut, tomato, ginger, vinegar, wheat and rye bread, cured pork, grape wines, rum, whiskies, cider, sherry, cocoa, tea, soybeans, olive, passion fruit, plum, plumcot, beans, mushroom, starfruit, mango, quince, litchi, shoyu (fermented soy hydrolysate), sake, malt, elderberry juice, cherimoya, mountain papaya, nectarine, naranjilla fruit and Roman chamomile oil(11).|Isoamyl acetate was identified in the skin and pulp of Queen Anne's Pocket Melon (Cucumis melo var. dudaim (L.) Naudin) at concentrations of 280.7 and 334.9 ug/kg, respectively(1). Isoamyl acetate was identified in 2 of 3 commercial fermented soybean (Glycine max) curds prepared in Taiwan and Hong Kong at concentrations of 541.0 and 9027.4 ug/kg, respectively(2).

ENVIRONMENTAL: Isoamyl acetate has been reported in cheeses, butter, and milk(1).

According to the 2012 TSCA Inventory Update Reporting data, 4 reporting facilities estimate the number of persons reasonably likely to be exposed during the manufacturing, processing, or use of isoamyl acetate in the United States may be as low as <10 workers and as high as 99 workers per plant; the data may be greatly underestimated due to confidential business information (CBI) or unknown values(1).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 97,668 workers (32,512 of these are female) were potentially exposed to isoamyl acetate in the US(1). Occupational exposure to isoamyl acetate may occur through inhalation and dermal contact with this compound at workplaces where isoamyl acetate is produced or used. Limited monitoring data indicate that the general population may be exposed to isoamyl acetate via inhalation of ambient air and drinking water containing isoamyl acetate and cigarette smoke. Use data indicate that the general population may be exposed to isoamyl acetate via ingestion of food containing isoamyl acetate and dermal contact with consumer products containing isoamyl acetate(SRC).

Drug Information

VAPOR: Irritating to eyes, nose and throat. If inhaled, will cause nausea, headache or dizziness. LIQUID: Irritating to skin and eyes. Harmful if swallowed. (USCG, 1999)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)|(See procedures)


Fresh air, rest. Refer for medical attention.


Remove contaminated clothes. Rinse skin with plenty of water or shower.


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 ventilation if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock 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 ... . /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 delayed contact hypersensitivity, phototoxicity, or photoallergy due to amyl acetate or isoamyl acetate was observed in human repeat insult patch test studies. It is concluded that amyl acetate and isoamyl acetate are safe as presently used in cosmetic products.|/SIGNS AND SYMPTOMS/ .../isoamyl acetate/ IAA vapor is known to irritate eyes, skin and respiratory tract, and to cause mild unspecific central nervous system symptoms..|/SIGNS AND SYMPTOMS/ at 300 ppm in air vapor is noticeably irritating to ... eyes. At higher concn it causes burning sensation in eyes & hyperemia of conjunctiva, but no corneal damage has been observed.|/SIGNS AND SYMPTOMS/ The toxicologic effects of isoamyl acetate are probably similar to those of amyl acetate: chiefly irritation of the conjunctiva and upper respiratory tract, followed by gradual onset of CNS depression, with slow recovery after exposure ceases. Men exposed to 950 ppm for 30 min reported only irritation of the nose and throat, headache, and weakness. ...|For more Human Toxicity Excerpts (Complete) data for ISOAMYL ACETATE (7 total), please visit the HSDB record page.

isoamyl acetate

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.|inhalation, ingestion, skin and/or eye contact

irritation eyes, skin, nose, throat; dermatitis; In Animals: narcosis


Sore throat. Cough. Headache. Weakness. Drowsiness.


Dry skin.


Redness. Pain.

Eyes, skin, respiratory system, central nervous system

Isoamyl acetate Use and Manufacturing

Methods of Manufacturing

Isoamyl acetate is present in bananas and cocoa beans, and industrially separated amyl alcohol from fusel oil is used as a raw material. Isoamyl alcohol and sulfuric acid were added to glacial acetic acid successively, and heated to reflux. When the temperature at the top of the fractionation column reaches 132°C, the esterification is complete. After cooling, it is washed with water, neutralized with 10% NaOH solution, and then washed with water until it is neutral. Finally, it is dried with anhydrous calcium chloride and distilled, and the fractions of 138-143°C are collected as the product. CH3COOH(CH3)2CHCH2CH2OH[H2SO4]→CH3COOCH2CH2CH(CH3)2+H2O

Uses

In alcohol solution as a pear flavor in mineral waters and syrups; as solvent for old oil colors, for tannins, nitrocellulose, lacquers, celluloid, and camphor; swelling bath sponges; covering unpleasant odors, perfuming shoe polish; manufacture of artificial silk, leather or pearls, photographic films, celluloid cements, waterproof varnishes, bronzing liquids, and metallic paints; dyeing and finishing textiles.A special grade of the amyl acetate has been used for burning in the Hefner lamp serving as a photometric standard.


Odor agents


Air care products

Production

100,000 - 500,000 lb|(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS|(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS|(1984) 5.08X10+7 GRAMS|Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 1-Butanol, 3-methyl-, 1-acetate. Aggregated National Production Volume: < 500,000 pounds.|Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1-Butanol, 3-methyl-, 1-acetate. National Production Volume: 100,000 - 500,000 lb/yr.

ABOUT 4.54X10+6 GRAMS PER YEAR IN FRAGRANCES (1974)

Grades: reagent; technical

Oil and gas drilling, extraction, and support activities|1-Butanol, 3-methyl-, 1-acetate: ACTIVE|The technical product is also known as pear oil or banana oil.|In commercial practice, amyl invariably means isoamyl.

Method: NIOSH 1450, Issue 3; Procedure: gas chromatography with flame ionization detector; Analyte: isoamyl acetate; Matrix: air; Detection Limit: 0.9 ug/sample.|Method: OSHA 07; Procedure: gas chromatography with flame ionization detector; Analyte: isoamyl acetate; Matrix: air; Detection Limit: not provided.|A gas chromatographic method for the analysis of isoamyl acetate, consists of a stainless steel column, 3 m x 3 mm ID, packed with Chromosorb WHP (100/120 mesh) coated with 5% FFAP, with hydrogen-air flame ionization detection, and nitrogen or helium 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 90 °C, the injection temperature is 200-225 °C, and the detection temperature is 250-300 °C. This method has a estimated detection limit of 0.02 mg/sample, and a relative standard deviation of 0.010, over a working range of 2.6 to 10 mg/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:130.18
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:86.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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