Phenetole

122.1644

122.16

203-139-7

RB8LU2C57F

406706

DTXSID7059278

OILY LIQ|COLORLESS

2909309090

9.23000

2.08530

colorless liquid

0.967 g/cm³ @ Temp: 20 °C

-30.0 °C

171-173 °C

145°F

n20/D 1.507(lit.)

Practically insoluble in water

1.53 MM HG @ 25 DEG C

LDLo scu-rat: 3500 mg/kg RMSRA6 15,561,1895

DISTINCTIVE ODOR

1 PPM= 4.99 MG/CU M AT 25 °C, 760 MM HG, 1 MG/L= 200.2 PPM AT 25 °C, 760 MM HG|Liquid molar volume = 0.127126 cu m/kmol|IG Heat of Formation = -1.017X10+8 J/kmol

Phenetole|D: Other compounds that may form peroxides|No amount of peroxides were found in new commerically available containers|Removal of Peroxides from Ethers with Cerous Hydroxide

Critical Temperature: 647.15 deg K. Critical Pressure: 3.4248X10+6 Pa

III

3

UN 1993 3/PG 3

2

R10

S24/25

SI7700000

F,C

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

H226

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.

UN 1993

|Warning|H226 (100%): 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 52 companies from 2 notifications to the ECHA C&L Inventory.|H226: Flammable liquid and vapor [Warning Flammable liquids]

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

MLD RAT SUBCUTANEOUS 4.0 G/KG|LD50 Guinea pig oral 3.0-10 g/kg /From table/|LD50 Rat sc 3.5-4.0 g/kg /From table/

Phenetole's production and use as a chemical intermediate and in perfumery(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 550(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that phenetole will have low mobility in soil(SRC). Volatilization of phenetole may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 4.4X10-4 atm-cu m/mole(SRC), calculated from experimental values for vapor pressure(4) and water solubility(5) and from dry soil surfaces(SRC) based on an experimental vapor pressure of 1.56 mm Hg(4). Biodegradation of phenetole is expected to be an important fate process in soil according to two biodegradation studies(6,7).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 550(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that phenetole may adsorb to suspended solids and sediment(SRC) in the water. Phenetole would volatilize from water surfaces based on an estimated Henry's Law constant of 4.4X10-4 atm-cu m/mole(SRC), calculated from experimental values for vapor pressure(4) and water solubility(5). Estimated half-lives for a model river and model lake are 5 hours and 5 days, respectively(3,SRC). An estimated BCF value of 48(3,SRC), from an experimental log Kow(2), suggests that bioconcentration of phenetole may be moderate, not high(SRC) according to a classification scheme(6). Biodegradation of phenetole is expected to be an important fate process in water according to two biodegradation studies(7,8).|ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 1.56 mm Hg at 25 °C(2,SRC) indicates that phenetole will exist in the vapor phase in the ambient atmosphere. Vapor-phase phenetole 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 about 14 hours(3,SRC).

The rate constant for the vapor-phase reaction of phenetole with photochemically produced hydroxyl radicals has been estimated as 2.8X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 14 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC).

An estimated BCF value of 48 was calculated for phenetole(SRC), using an experimental log Kow of 2.51(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms may be moderate, not high(SRC).

The Koc of phenetole is estimated as approximately 550(SRC), using an experimental log Kow of 2.51(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that phenetole has low mobility in soil(SRC).

The Henry's Law constant for phenetole is estimated as 4.4X10-4 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 1.56 mm Hg(1), and water solubility, 569 mg/l(2). This value indicates that phenetole will volatilize from water surfaces(3,SRC). 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) is estimated as approximately 5 hours(3,SRC). The 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 5 days(3,SRC). Phenetole's vapor pressure(1) and Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil surfaces may occur(SRC).

SURFACE WATER: Phenetole was identified in Spirit Lake which is located within the blast zone of Mount St. Helens, Washington(1).

Occupational exposure to ethers, such as phenetole(SRC), can occur through dermal contact, inhalation, and ingestion(1).

... EXCRETED AS GLUCURONIDE & ETHEREAL SULFATE.

... PHENETOLE, LIKE ANISOLE, IS HYDROXYLATED IN PARA POSITION & EXCRETED AS GLUCURONIDE & ETHEREAL SULFATE.|Wild type, mutant, and recombinant bacterial strains capable of oxidizing aromatic hydrocarbons were screened for their ability to oxidize anisole, and phenetole. Toluene induced cells of Pseudomonas putida F39/D transformed anisole to a compound tentatively identified as cis-1,2-dihydroxy-3-methoxycyclohexa-3,5-diene, 2-methoxyphenol, catechol, and trace amounts of phenol while phenetole was converted primarily to cis-1,2-dihydroxy-3-ethoxycyclohexa-3,5-diene and 2-ethoxyphenol. Induced cells of Pseudomonas sp. NCIB 9816/11 and Beijerinckia sp. B8/36 transformed anisole to phenol, and phenetole to phenol and ethenyloxybenzene. Toluene induced cells of P. putida BG1 converted anisole to phenol but did not oxidize phenetole. In contrast, toluene induced cells of P. mendocina KRl, which oxidize toluene via monooxygenation at the para position, transformed anisole to 4-methoxyphenol, and phenetole to 2-, 3-and 4-ethoxyphenol. The involvement of toluene and naphthalene dioxygenases in the reactions catalyzed by strains F39/D and NCIB 9816/11, respectively, was confirmed with recombinant E. coli strains expressing the cloned dioxygenase genes. The results show that the oxygenases from different Pseudomonas strains oxidize anisole and phenetole to different hydroxylated products.

ethoxybenzene

Benzene, ethoxy-: ACTIVE

COLLECTION ON CHARCOAL FOLLOWED BY ANALYSIS EMPLOYING ULTRAVIOLET SPECTROPHOTOMETRY ... RECOMMENDED. WHEN IN ISOOCTANE, PHENETOLE HAS STRONG ABSORPTION BANDS @ 271 & 277.5 NM, AND 0.05 MG/100 ML CAN BE MEASURED READILY. VAPOR-PHASE CHROMATOGRAPHY AND MASS SPECTROMETRY ALSO CAN BE USED.|Air sampling and determination of phenetole vapors in the work place using gas chromatographic techniques.