Phenyl acetate

136.15

136.15

636458

204-575-0

355G9R500Y

0539

27795

1993

DTXSID3051626

C1501

COLORLESS, MOBILE LIQUID|WATER WHITE LIQUID

2915390090

26.30000

1.61190

Clear colorless to slightly brown Liquid

1.073 g/cm³ @ Temp: 20 °C

-30 °C

196 °C

170 °F

n20/D 1.501(lit.)

soluble in water (4 g/L at 20°C).

Store below +30°C.

0.40 mmHg

Relative vapour density (air = 1): 4.7

PHENOLIC ODOR

Slightly soluble in water.

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

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.

NA 1993 / PGIII

2

22

36

AJ2800000

Xn,Xi

Irritant

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

P264, P270, P273, P301+P312, P330, P501

H302

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)|Combustible. Above 80 °C explosive vapour/air mixtures may be formed.

|Warning|H302 (83.72%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 217 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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 128 [Flammable Liquids (Water-Immiscible)]: 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)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)

COMBUSTIBLE WHEN EXPOSED TO HEAT, FLAME, OR OXIDIZERS.

ALCOHOL FOAM.

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

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

The substance is mildly irritating to the eyes and skin.

NO open flames. Above 80 °C use a closed system and ventilation.

Protective gloves.

Wear safety spectacles.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.

A process water sample from an in situ coal gasification process in Gillette, WY contained phenyl acetate at 4 ppb(1).

/PHENYL ACETATE IS A/ COMPD IN NATURAL COCOA AROMA. /FROM TABLE/

Phenyl acetate's production and use as a solvent(1), chemical intermediate(2), and as a laboratory reagent(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 150(SRC), determined from a log Kow value(2) and a regression-derived equation(3), indicates that phenyl acetate is expected to have high to moderate mobility in soil(SRC). In alkaline soils, hydrolysis of phenyl acetate is expected to be an important fate process with a half-life of 6 days at pH 8(6). Based on limited data, biodegradation of phenyl acetate is expected with a measured first-order rate constant of 0.060/hr(7). Volatilization of phenyl acetate from moist soil surfaces is expected to be important(SRC) given an estimated Henry's Law constant of 6.5X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Phenyl acetate is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 0.398 mm Hg(5,SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 150(SRC), determined from a log Kow value(2) and a regression-derived equation(3), indicates that phenyl acetate is not expected to adsorb to suspended solids and sediment in water(SRC). In alkaline water, hydrolysis of phenyl acetate is expected to be an important fate process with a half-life of 6 days at pH 8(6). Based on limited data, biodegradation of phenyl acetate is expected with a measured first-order rate constant of 0.060/hr(7). Phenyl acetate is expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 6.5X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated volatilization half-lives for a model river and model lake are 19 hours and 9 days, respectively(3,SRC). According to a classification scheme(5), an estimated BCF of 8(3,SRC), from a log Kow value(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), phenyl acetate, which has an estimated vapor pressure of 0.398 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase phenyl 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 8 days(3,SRC).

The rate constant for the vapor-phase reaction of phenyl acetate with photochemically-produced hydroxyl radicals has been estimated as 2.05X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 8 days at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC). A base-catalyzed second-order hydrolysis rate constant of 1.3 L/mol-sec(2) was measured at 25 °C; this corresponds to half-lives of 61 and 6 days at pH values of 7 and 8, respectively(2,SRC).

An estimated BCF of 8 was calculated for phenyl acetate(SRC), using a log Kow value of 1.49(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 phenyl acetate is estimated as approximately 150(SRC), using a log Kow value of 1.49(1) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that phenyl acetate is expected to have moderate to high mobility in soil(SRC).

The Henry's Law constant for phenyl acetate is estimated as 6.5X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that phenyl acetate is expected to volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 19 hours(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 9 days(2,SRC). Phenyl acetate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC). Phenyl acetate is not expected to volatilize from dry soil surfaces based on an extrapolated vapor pressure of 0.398 mm Hg(3).

DRINKING WATER: Groundwater, after distribution for drinking water purposes, was found to contain phenyl acetate at unreported concns in 1978 from an unreported source in England(1).

Limited monitoring data indicate that non-occupational exposures can occur from the ingestion of contaminated drinking water. The most probable human exposure would be occupational exposure, which may occur through dermal contact or inhalation at workplaces where it is produced or used. (SRC)

PHENYL ACETATE /WAS METABOLIZED TO/ PHENOL, IN MAN; IN PIG; IN RABBIT; AND IN PEA.|The substrate specificity of carboxylesterases (CEs) in various respiratory tract tissues from F344/N-rats, New-Zealand-white-rabbits, and Syrian-hamsters was studied using ion chromatography to quantify hydrolysis rates. Thirteen esters were tested: pentyl-acetate, phenyl-acetate and beta-butyrolactone were used for interspecies comparison. Liver S9 had the most catalytic activity in rats whereas in rabbits and hamsters the values for trachea and nasal S9 were as active or more active than liver for all substrates tested except pentyl-acetate. Lung S9 showed reduced esterase activity relative to the other tissues. ... Straight chain alcohol esters were the most rapidly hydrolyzed and tertiary esters had the slowest hydrolysis rate. ...|The substrate specificity for carboxylic acid esters was determined for phosphoric triester hydrolases and serine esterases. Serum was obtained from 452 individuals, including non diseased person and patients with hyperlipemia. Correlations between enzyme activities, reversible inhibition by EDTA and progressive inhibition by organophosphate compounds and carbamates were made. The hydrolysis of paraoxon (POX), phenylacetate (PA), and beta-naphthylacetate (BNA) was studied. Results indicated that two paraoxonases hydrolyze paraoxon, one sensitive and the other insensitive to EDTA. The EDTA sensitive paraoxonase also hydrolyzed beta-naphthylacetate. The EDTA insensitive hydrolysis of beta-naphthylacetate and phenylacetate was assigned to a serine esterase. The EDTA sensitive hydrolysis of phenylacetate was likely due to more than one enzyme, which may be an arylesterase and a carboxylesterase.|Esterases in human liver microsomes hydrolyzed ... phenylacetate (Vmax 57 +/- 8 mumol/min/g tissue), whereas esterases found in the human liver cytosol hydrolyzed ... phenylacetate (Vmax 37 +/- 2.9 mumol/min/g tissue). ... Human plasma esterase hydrolyzed ... phenylacetate (Vmax 250 +/- 17 mumol/min/mL). ... Phenylacetate hydrolysis involved arylesterase in plasma, both arylesterase and carboxylesterase in liver microsomes and carboxylesterase in liver cytosol. ...|For more Metabolism/Metabolites (Complete) data for PHENYL ACETATE (6 total), please visit the HSDB record page.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim calm and warm. (ERG, 2016)

Fresh air, rest.

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.

acetic acid, phenyl ester

The substance can be absorbed into the body by ingestion.

Redness.

Redness. Pain.

Plastic material and resin manufacturing|Acetic acid, phenyl ester: ACTIVE

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