Methyl phenylacetate

150.17

150.17

878795

202-940-9

D4PDC41X96

401667|9405

DTXSID1044352

Colorless liquid

29163500

26.3

1.83

Colourless to nearly colourless liquid; intense odour suggestive of honey and jasmine

0.9896 g/cm³ @ Temp: 14 °C

107-115 °C

216.5 °C

195 °F

1.505

soluble in most organic solvents; 1:6 in 60% alcohol; insoluble in water, glycerin and propylene glycol.

Store below +30°C.

0.13 mm Hg at 20 deg C

5.18 (Air = 1)

Honey, jasmine odor

Honey, Jasmine

Henry's Law constant = 1.4X10-5 atm-cu m/mol at 25 °C (est)

Soluble in alcohols, fixed oils; insoluble in glycerin, propylene glycol, water at 215 °C|Hydroxyl radical reaction rate constant = 3.7X10-12 cu cm/mole-sec at 25 °C (est)

2

21-R21

23-24/25

AJ3175000

Xn

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

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.|Product: This combustible material may be burned in a chemical incinerator equipped with an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging: Dispose of as unused product.

Incompatible materials: Strong oxidizing agents, Strong bases

Methyl phenylacetate 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.

Not Classified|Warning|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

Eye/face protection: Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).|Skin protection: Handle with gloves.|Body Protection: Impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Combustible liquid.

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.|Wear self-contained breathing apparatus for firefighting if necessary. Use water spray to cool unopened containers.

Carbon oxides

ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. 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. Keep in suitable, closed containers for disposal.

ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Prevent further leakage or spillage if safe to do so. Do not let product enter drains.|Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.|Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.|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.|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.

A skin irritant.

Methyl phenylacetate is a component of tobacco and tobacco smoke(1). Methyl phenylacetate was identified as a volatile component of Mycobacterium tuberculosis and Mycobacterium bovis cultures grown in vitro(2).

IDENTIFICATION AND USE: Methyl phenyl acetate is used as food and beverage ingredient. It is also the starting material in manufacture of synthetic perfumes. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: Restrained bees were tested with methyl phenylacetate previously identified from Mycobacterium tuberculosis cultures, to determine honeybee capacity for signature volatile detection. Methyl phenylacetate was detectable over eight orders of magnitude. Potential exists for trained honeybees in non-invasive diagnostic tests for TB.

LD50 Rabbit dermal 2400 mg/kg|LD50 Rat oral 2550 mg/kg

Methyl phenylacetate is a component of some tissues and essential oils of various plants(1). Methyl phenylacetate was identified as a volatile component of Mycobacterium tuberculosis and Mycobacterium bovis cultures grown in vitro(2).

Methyl phenylacetate's production and use as a synthetic food flavoring agent(1) may result in its release to the environment through various waste streams(SRC). Its use in the manufacture of synthetic perfumes(2) may result in its direct release to the environment(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 74(SRC), determined from a log Kow of 1.83(2) and a regression-derived equation(3), indicates that methyl phenylacetate is expected to have high mobility in soil(SRC). Volatilization of methyl phenylacetate from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Methyl phenylacetate has a vapor pressure of 0.13 mm Hg(5) and exists as a liquid at environmental standard temperature and pressure; therefore, methyl phenylacetate may volatilize from dry soil(SRC). Utilizing the Closed Bottle test, 75% degradation was reached in 28 days(5) indicating that biodegradation is an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 74(SRC), determined from a log Kow of 1.83(2) and a regression-derived equation(3), indicates that methyl phenylacetate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 1.4X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(5). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 2 and 28 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 7.5(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Utilizing the Closed Bottle test, 75% degradation was reached in 28 days(7) indicating that biodegradation is 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), methyl phenylacetate, which has a vapor pressure of 0.13 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl phenylacetate 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 8.6 days(SRC), calculated from its rate constant of 3.7X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Methyl phenylacetate does not absorb UV light 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 methyl phenylacetate with photochemically-produced hydroxyl radicals has been estimated as 3.7X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 8.6 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 2.1X10-1 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 1 year and 37 days at pH values of 7 and 8, respectively(2). Methyl phenylacetate may undergo slow hydrolysis in alkaline soils and waters(3). Methyl phenylacetate 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).

An estimated BCF of 7.5 was calculated in fish for methyl phenylacetate(SRC), using a log Kow of 1.83(1) and a regression-derived equation(2). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of methyl phenylacetate is estimated as 74(SRC), using a log Kow of 1.83(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl phenylacetate is expected to have high mobility in soil.

The Henry's Law constant for methyl phenylacetate is estimated as 1.4X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl phenylacetate 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 days(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 28 days(SRC). Methyl phenylacetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl phenylacetate has a vapor pressure of 0.13 mm Hg(4) and exists as a liquid at environmental standard temperature and pressure; therefore, methyl phenylacetate may volatilize from dry soil(SRC).

No reports of surface water or ground water monitoring studies that included methyl phenylacetate were found in searches of the online National Water Quality Monitoring Council database which compiles monitoring data from the Retrieval (STORET) Data Warehouse and the USGS National Water Information System (NWIS)(1).|DRINKING WATER: Methyl phenylacetate was identified but not quantified in water samples collected from Cincinnati, OH on October 17, 1978(1).|SURFACE WATER: Methyl phenylacetate was identified but not quantified in water samples collected from South Fork Castle Lake, WA on Sept 11, 1980, following the volcanic eruption of Mount St. Helens on May 18, 1980. South Fork Castle Lake was formed by the damming of South Fork Castle Creek by avalanche debris(1).

Methyl phenylacetate is a constituent of cognac and Bourbon vanilla(1).

Occupational exposure to methyl phenylacetate may occur through inhalation and dermal contact with this compound at workplaces where methyl phenylacetate is produced or used. Limited monitoring data and use data indicate that the general population may be exposed to methyl phenylacetate via ingestion of food, smoking cigarettes and inhalation and dermal contact with consumer products containing methyl phenylacetate. (SRC)

Under the auspices of the International Organization of the Flavor Industry (IOFI), preliminary studies were designed to establish the relative rates of enzymic hydrolysis of 26 esters of organic alcohols and acids of various structural configurations (iso-amyl furylpropanoate, ethyl cyclohexylpropanoate, allyl hexanoate, benzyl 2-methylbutanoate, m-cresyl phenylacetate, citronellyl acetate, benzylphenylacetate, ethylfurylpropanoate, allylphenylacetate, isoamylphenylacetate, ethyldecanoate, benzylcinnamate, methylphenylacetate, o-cresyl acetate, citronellylphenylacetate, benzylacetate, isopropylphenylacetate, isopropylbutanoate, isoamylacetate, 1,3-dimethylbutyl acetate, ethylacetate, benzyltiglate, allyltiglate, methylanthranilate, methyl-N-methylanthranilate and dimethylbenzylcarbinylacetate). In the majority of cases, the selected esters were hydrolyzed rapidly by pancreatin. Additional investigations were undertaken on 8 esters (isoamylacetate, ethylacetate, allyltiglate, 1,3-dimethylbutylacetate, benzyltiglate, methyl-N-methylanthranilate, methylanthranilate and dimethylbenzylcarbinyl acetate) not rapidly hydrolyzed using whole homogenates of pig jejunum and liver. There was wide variation in the degree of in vitro hydrolysis of flavoring esters depending on the source of enzymes used. Those esters hydrolyzed rapidly in vitro will possibly also be degraded readily in the intact animal.

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Esters and related compounds/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist 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/|/SRP:/ 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/

methyl phenylacetate

Grade: Technical, FCC.

Benzeneacetic acid, methyl ester: ACTIVE|Natural occurrence: reported found in cocoa, coffee, strawberry, pineapple, pepper, hop oil, cognac, peanut, honey, starfruit, Bourbon vanilla, mountain papaya, roasted chicory root and roobis tea.|Methyl phenylacetate is found in cocoa and cocoa products. Methyl phenylacetate is a flavoring ingredient. Odoriferous constituent of many plants. Methyl phenylacetate is present in cocoa, coffee and strawberry.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents