化合物详情
CAS122-70-3
分子式C11H14O2
分子量178.23 g/mol
非危品
2-Phenylethyl propanoate is a member of benzenes.
科学粮草官-词典编辑部,修订于:2026-07-06

Toxicity
ToxicityEPA Ecotoxicity
Pesticide Ecotoxicity Data from EPA: 2
Fate Summary
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-phenethyl propionate, which has an estimated vapor pressure of 0.051 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the vapor-phase in the ambient atmosphere. Vapor-phase 2-phenethyl propionate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals. The half-life for this reaction in air is estimated as 2 days(SRC), from its rate constant of 8.3X10-12 cu cm/molecule-sec at 25 °C(SRC), derived using a structure estimation method(3).
Soil Adsorption / Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-phenethyl propionate can be estimated to be 476(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-phenethyl propionate is expected to have moderate mobility in soil(SRC).
Environmental Biodegradation
Biodegradation data for 2-phenethyl propionate were not available(SRC, 2006). Biodegradation in soil and water is expected to be an important environmental fate process because of the presence of an easily biodegraded ester functional group(1).
Environmental Bioconcentration
An estimated BCF of 46 was calculated for 2-phenethyl propionate(SRC), using an estimated log Kow of 3.06(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
Volatilization from Water / Soil
The Henry's Law constant for 2-phenethyl propionate is estimated as 2.5X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-phenethyl propionate 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 approximately 7 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)(2) is estimated as approximately 82 days(SRC). 2-Phenethyl propionate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.051 mm Hg(SRC), determined from a fragment constant method(3).
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of 2-phenethyl propionate with photochemically-produced hydroxyl radicals has been estimated as 8.3X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.13 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 63 days and 1.7 years at pH values of 8 and 7, respectively(2).
Artificial Pollution Sources
2-Phenethyl propionate's production and use as a flavor and fragrance ingredient(1) may result in its release to the environment through various waste streams(SRC). Its use as an insecticide(2) will result in its direct release to the environment.
Probable Routes of Human Exposure
Occupational exposure to 2-phenethyl propionate may occur through dermal contact with this compound at workplaces where 2-phenethyl propionate is produced or used. 2-Phenethyl propionate may be added to flavor and fragrance products; therefore, the general population may be exposed via ingestion and dermal exposure. 2-Phenethyl propionate is an ingredient in several insecticide sprays available for home and garden use; therefore, the general population may also be exposed via inhalation and dermal routes through the use of these products. (SRC)
Environmental Fate / Exposure Summary
2-Phenethyl propionate's production and use as a flavor and fragrance ingredient may result in its release to the environment through various waste streams. Its use as an insecticide will result in its direct release to the environment. If released to air an estimated vapor pressure of 0.051 mm Hg at 25 °C, indicates that 2-phenethyl propionate will exist solely in the vapor-phase in the ambient atmosphere. Vapor-phase 2-phenethyl propionate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 2 days. If released to soil, an estimated Koc of 476 indicates that 2-phenethyl propionate will have moderate mobility in soil. Volatilization from moist soil surfaces is expected to be important based...
Non-Human Toxicity Values
LD50 Rat oral 4000 mg/kg
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ ... Phenethyl propionatet eugenol, 7:3 (acute dermal LD50, 1220 mg/kg), was classified as more than slightly toxic. /When/ tested for acute oral and aerosol inhalation toxicity in rats, for acute dermal toxicity, eye irritation, and primary skin irritation on rabbits, and for toxicity to rainbow trout and bluegill sunfish. (Z)-7-Dodecen-1-ol acted as a primary skin irritant.
Antidote and Emergency Treatment
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . 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 over...





