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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Biodegradation in water

Biodegradability of 3-phenylpropanoyl chloride (CAS no. 645 -45 -4) is predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 16.92% degradation by BOD in 28 days. Thus, based on percentage degradation, the chemical 3-phenylpropanoyl chloride was estimated to be not readily biodegradable in water.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 3-phenylpropanoyl chloride (CAS No. 645 -45 -4). If released in to the environment, 28.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 3-phenylpropanoyl chloride 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 3-phenylpropanoyl chloride 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 0.119%), indicates that 3-phenylpropanoyl chloride is not persistent in sediment.

Biodegradation in soil

The half-life period of 3-phenylpropanoyl chloride (CAS No. 645 -45 -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, 67.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-phenylpropanoyl chloride in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 3-phenylpropanoyl chloride, 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.

Additional information

Biodegradation in water

Various predicted data for the target compound 3-phenylpropanoyl chloride(CAS No. 645-45-4) and supporting weight of evidence studies for its closest read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical 3-phenylpropanoyl chloride(CAS No. 645-45-4) was estimated.Test substance undergoes 16.92% degradation by BOD in 28 days. Thus, based on percentage degradation, the chemical 3-phenylpropanoyl chloride was estimated to be not readily biodegradable in water.

 

In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound 3-phenylpropanoyl chloride(CAS No. 645-45-4) in the presence of mixed populations of environmental microorganisms was estimated.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 chemical  3-phenylpropanoyl chloride is expected to be not readily biodegradable.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical Ethylbenzene (CAS no. 100-41-4),the experiments were performed to test biodegradability of read across chemical ethylbenzene in water for 28 days by considering two parameters BOD and HPLC. The initial concentration of test chemical taken was 100mg/L and activated sludge of concentration 30 mg/L was used as inoculums for both parameters. 0% biodegradation was observed in both parameters. So it is concluded that the chemical ethylbenzene is not readily biodegradable.

 

Another experiment was performed to test biodegradability of read across chemical 4-benzylphenol (CAS no. 101-53-1) in water for 28 days by considering three parameters BOD, TOC and UV-VIS. The initial concentration of test chemical taken was 100mg/L and activated sludge of concentration 30 mg/L was used as inoculums for all parameters. 0%, 4 % and 2% biodegradation was observed in BOD, TOC and UV-VIS parameters respectively. So it is concluded that the chemical 4-benzylphenol is not readily biodegradable.

 

On the basis of above results for target chemical3-phenylpropanoyl chloride(from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK, 2017), it can be concluded that the test substance 3-phenylpropanoyl chloridecan be expected to be not readily biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 3-phenylpropanoyl chloride (CAS No. 645 -45 -4). If released in to the environment, 28.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 3-phenylpropanoyl chloride 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 3-phenylpropanoyl chloride 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 0.119%), indicates that 3-phenylpropanoyl chloride is not persistent in sediment.

Biodegradation in soil

The half-life period of 3-phenylpropanoyl chloride (CAS No. 645 -45 -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, 67.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-phenylpropanoyl chloride in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 3-phenylpropanoyl chloride, 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.

On the basis of available information, the test substance 3 -phenylpropanoyl chloride can be considered to be not readily biodegradable in nature.