Cinnamyl formate

Endpoint summary

Description of key information

Biodegradation in water:

Biodegradability of test chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104 -65 -4) was determined by using OECD QSAR tool box v3.3 with log Kow as primary descriptor. The test chemical (2E)-3-phenylprop-2-en-1-yl formate showed 92.40 % degradation by considering BOD as parameter and Microorganisms as inoculum in aerobic condition in 28 days. On the basis of percent degradation value in 28 days it is concluded that this 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 compound (2E)-3-phenylprop-2-en-1-yl formate (CAS No. 104 -65 -4). If released in to the environment, 26 % 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 be15 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 low whereas the half-life period of test chemical (2E)-3-phenylprop-2-en-1-yl formate in sediment is estimated to be135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1 % (i.e, reported as 0.292 %), indicates that test chemical (2E)-3-phenylprop-2-en-1-yl formate is not persistent in sediment.

Biodegradation in soil:

The half-life period of test chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS No. 104 -65 -4) 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, 73.5 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical (2E)-3-phenylprop-2-en-1-yl formate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical (2E)-3-phenylprop-2-en-1-yl formate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low .

Additional information

Biodegradation in water:

Predicted data for the target compound (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104 -65 -4)and supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:

In first prediction the biodegradability of test chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104 -65 -4) was determined by using OECD QSAR tool box v3.3 with log Kow as primary descriptor. The test chemical (2E)-3-phenylprop-2-en-1-yl formate showed 92.40 % degradation by considering BOD as parameter and Microorganisms as inoculum in aerobic condition in 28 days. On the basis of percent degradation value in 28 days it is concluded that this test chemical is readily biodegradable.

 Another prediction was done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104 -65 -4) 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 Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical  (2E)-3-phenylprop-2-en-1-yl formate is expected to be readily biodegradable.

Next, experimental study of read across substance 2E)-2-(phenylmethylidene)heptanal (CAS no. 122-40-7) was conducted to support the prediction study of target chemical (from Food and chemical Toxicolgy journal , 2015) in this study Biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance (2E)-2-(phenylmethylidene)heptanal under aerobic conditions. The study was performed according to OECD Guideline 301 F (Ready Biodegradability: Manometric Respirometry Test). Concentration of inoculum i.e, sludge used was 30 mg/l and initial read across substance conc. used in the study was 100 mg/l, respectively. Aniline was used as a reference substance for the study. Test vessels involve the Bottle 1 & 2: Basal culture medium + activated sludge 30 mg/l + test chemical (100 mg/l); Bottle 3: Basal culture medium + activated sludge 30mg/l+ aniline (100mg/l) and Bottle 4: Basal culture medium + activated sludge 30 mg/l. Reference substance undergoes 61% degradation in 28 days. The percentage degradation of read across substance (2E)-2-(phenylmethylidene)heptanal was determined to be 90% by BOD parameter in 28 days. Thus, based on percentage degradation, (2E)-2 -(phenylmethylidene)heptanal is considered to be readily biodegradable in nature.

 

One more experimental study was conducted for read across substance 2 -phenylethyl propanoate (PEP) (from Pest Management Science journal, 2008) in this study Biodegradation experiment was conducted for 30 days for evaluating the percentage biodegradability of 2 -phenylethyl propanoate. Pond water was used as inoculums collected from the Iowa State University Horticulture Farm pond (Ames, IA, USA). Initial read across substance conc. used for the study was 10μg/g. The pH of the water was 7.3, the alkalinity was 91 mg/ml, and the total hardness was 182 mg/ml. Pond water (100 ml) was kept in French square bottles and spiked with 3H-PEP in 300 μl of acetone carrier solvent to result in a concentration of 10 μg/ml. Samples were taken at days 0, 0.25, 0.5, 1, 3, 7, 14, 21 and 30 post-treatment. Quantitative analysis of PEP was performed using a Hewlett-Packard (Palo Alto, CA, USA) series 1100 HPLC system with a quaternary pump, an autosampler, a thermostatted column compartment, and a Spectroflow 757 absorbance detector (ABI Analytical, Kratos Division, Ramsey, NJ, USA). Data were collected and analyzed using HP Chemstation system software (REV. A.04.01). An Alltech Adsorbosphere® (Deerfield, IL, USA) C18 column (4.6×250 mm, 5-μm particle size) was used. Detection was conducted at 270 nm with a flow rate of 1.0 ml/min at room temperature. The mobile phase was methanol/distilled water (70:30, v/v).Dissipation rates of PEP were calculated using first-order open models. A student’s t-test was used to compare dissipation rates of PEP in light and in dark from the water dissipation studies. Dissipation of PEP in water was very rapid with a DT 50 of 5 days. Volatility loss was negligible in one month with mass balance from 96% to 100%. The primary degradation product was 2-phenylethanol, which was produced from ester hydrolysis of phenethyl propionate; another degradation product was 2-(4-hydroxyphenyl) ethanol, which was probably a biotransformation product of 2-phenylethanol in microbes. The percentage degradation of read across substance 2-phenylethyl propanoate was determined to be 50% in 5 days. Thus, based on percentage degradation, 2-phenylethyl propanoate is considered to be readily biodegradable in nature.

On the basis of results of above mentioned studies for target chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS no. 104 -65 -4) (from OECD QSAR tool box v3.3 and EPI suite) and supporting weight of evidence studies. It is concluded that the test chemical (2E)-3-phenylprop-2-en-1-yl formate can be 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 compound(2E)-3-phenylprop-2-en-1-yl formate(CAS No. 104 -65 -4). If released in to the environment, 26 % 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 be15 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 low whereas the half-life period of test chemical (2E)-3-phenylprop-2-en-1-yl formate in sediment is estimated to be135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1 % (i.e, reported as 0.292 %), indicates that test chemical(2E)-3-phenylprop-2-en-1-yl formate is not persistent in sediment.

Biodegradation in soil:

The half-life period of test chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS No. 104 -65 -4) 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, 73.5 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical (2E)-3-phenylprop-2-en-1-yl formate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical (2E)-3-phenylprop-2-en-1-yl formate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low .