Phenethyl butyrate

Endpoint summary

Description of key information

Stability:

Hydrolysis:

According to annex VIII column 2 of REACH regulation the study does not need to be conducted because the substance is readily biodegradable.

Biodegradation:

Biodegradation in water:

Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test chemical in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that test chemical is expected to be readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface EPI Suite (2017) prediction model was run to predict the half-life in water and sediment for the test chemical. If released in to the environment, 24.3% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of test chemical in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.654%), indicates that test chemical is not persistent in nature.

Biodegradation in soil:

The half-life period of test chemical in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 73% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation:

Bioaccumulation:aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical is 102.8 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical  is nonbioaccumulative in food chain.

Transport and distribution:

Adsorption/desorption:

The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.9984 dimensionless  at 25°C. Thus based on the result it is concluded that the test substance has a moderate sorption to soil and sediment and therefore has slowmigration potential to ground water.

Additional information

Stability:

Hydrolysis:

According to annex VIII column 2 of REACH regulation the study does not need to be conducted because the substance is readily biodegradable.

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical was estimated by prediction and experimental studies of read across chemicals and their results are summarized below.

In first study the Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test chemical in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that test chemical is expected to be readily biodegradable.

Next study was experimental study in this the Ready biodegradability of test chemical was determined by the Manometric Respirometry test according to the OECD Guidelines No. 301 F. Fresh activated sludge from a biological waste water treatment plant treating predominantly domestic sewage (City og Geneva, Aire) was used.

The sludge is collected in the morning, washed three times in the mineral medium (by centrifuging at 1000g for 10 min, discarding the supernatant and resuspending in the mineral medium) and kept aerobic until being used on the same day. The dry weight of suspended solids is determined by taking two 50 ml samples of the homogenized sludge, evaporating water on a steam bath, drying in an oven at 105-110°C for two hours and weighing the residue. In the study, a measured volume of the inoculated mineral medium, containing a known concentration of the test substance (100 mg/L) as the nominal sole source of organic carbon, is stirred in a closed flask at a constant temperature (22±1°C) for upto 28 days. The consumption of oxygen is determined by measuring the quantity of oxygen (produced electrolytically) required to maintain constant the gas volume in the respirometer flask. The respirometer used during this study is a SAPROMAT D 12. Sodium benzoate was used as a reference substance for the study. Test chemical undergoes 89% biodegradation after 29 days (88% after 28 days) in the test conditions. Biodegradation starts on day 2 and reaches 76% at the end of the 10 day window (days 2 to 12). Thus, test chemical was considered to be readily biodegradable according to this test.

Another study was also experimental study reviewed from the authoritative database (J check) in this study the Biodegradation screening test was conducted for 28 days (4 weeks) for evaluating the percentage biodegradability of the test substance.

Concentration of inoculum i.e, sludge is 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of test substance was determined to be 95% by BOD, 98% by TOC and 100% by GC. Thus, the substance was considered to be readily biodegradable in water.

In last experimental study the28-days Manometric respirometry test following the OECD guideline 301F was performed to determine the ready biodegradability of the test chemical. The study was performed at a temperature of 20± 1°C. Mixture of domestic waste water, surface soil and soil samples was used as a test inoculum for the study. This inoculum was collected and was mixed to get diluted suspension. The inoculum was kept aerobic until being used for experiment by supplying organic and inorganic sources required by micro flora to sustain at controlled laboratory conditions.  This gave the bacterial count as 10E7to 10E8 CFU/ml. At the regular interval microbial plating was also performed on agar to confirm the vitality and CFU count of microorganism. OECD mineral medium was used for the study. The test system included control, test item and reference item. The concentration of test and reference item (Sodium Benzoate) chosen for both the study was 100 mg/L, while that of inoculum was 10mL. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % Degradation was calculated using the values of BOD and ThOD for test item and reference item. The % degradation of procedure control (Sodium Benzoate) was also calculated using BOD & ThOD and was determined to be 75.80%. The mean BOD value (mg O2/l) in control on 28th day was 1.262 mg O2/l, thereby fulfilling the control validity criteria (i.e., The oxygen consumption of the inoculum blank is normally 20-30 mg O2/l and should not be greater than 60 mg/l in 28 days). Degradation of Sodium Benzoate exceeds 47.99 %after 7 days and 62.04 % after 14 days. The activity of the inoculums is thus verified and the test can be considered as valid. The BOD28 value of test chemical was observed to be 1.967 mgO2sup>/mg. ThOD was calculated as 2.424 mgO2/mg. Accordingly, the % degradation of the test item after 28 days of incubation at 20 ± 1°C according to manometric respirometry test was determined to be 81.15 %.Based on the results, the test item, under the test conditions, was considered to be readily biodegradable at 20 ± 1°C over a period of 28 days.

By considering results of all the studies mentioned above it is concluded that test chemical is readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface EPI Suite (2017) prediction model was run to predict the half-life in water and sediment for the test chemical. If released in to the environment, 24.3% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of test chemical in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.654%), indicates that test chemical is not persistent in nature.

Biodegradation in soil:

The half-life period of test chemical in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 73% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation:

Bioaccumulation:aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical is 102.8 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical  is nonbioaccumulative in food chain.

Transport and distribution:

Adsorption/desorption:

The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The solutions of the test substance and reference substances were prepared in appropriate solvents.

A test item solution was prepared by accurately measuring 4μL of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 397.6 mg/l. The pH of test substance was 7.73.

Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances2-nitrophenol, nitrobenzene, 4-nitrobenzamide, N,N-dimethylbenzamide, Nmethylbenzamide and benzamide were chosen having Koc value ranging from 1.239 to 2.47.

The Log Koc value of test chemical was determined to be 2.9984 dimensionless at 25°C.This log Koc value indicates that the substance has a moderate sorption to soil and sediment and therefore has slow migration potential to ground water.