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PBT assessment

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PBT assessment: overall result

1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride
Type of composition:
boundary composition of the substance
State / form:
solid: bulk
Reference substance:
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium chloride
PBT status:
the substance is not PBT / vPvB

Classification of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride (CAS no. 52605-52-4) for effects in the environment:

The test chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride (CAS no. 52605-52-4) is used in in formulations and repacking at industrial sites.The test chemicalherein critically and independently evaluated the environmental fate and ecotoxicity data.


The aim was to assess whether the PBT criterion within Annex XIII was fulfilled for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride. The PBT criterion was herein assessed based on experimental data in conjunction with standardized environmental fate models. Here follows a description of the PBT assessment.

1. Persistence assessment


The tested substance meets the P criterion within Annex XIII based on the assessment that here follows:


1.1.Overall degradability


The prediction model, called Biodegradation Probability program (BIOWIN) was used to understand biodegradation nature of test chemical, wherein it uses seven different mathematical models from Biowin 1-7(EPI suite version 4.1). As per the REACH guidance the combination of BIOWIN 2 and BIOWIN 3 results, or a combination of BIOWIN 3 and BIOWIN 6 results were fulfilled the non-readily biodegradable criteria. the values obtained from the program in BIOWIN 2 and BIOWIN 6 is less than 0.5 and BIOWIN 3 is less than 2.2.

The exact values are given in Table 1 as follows:


Table 1Summary of BIOWIN predictions (EPI suite version 4.1).








Based on the outcomes of experimental and prediction models of the test chemical, it is expected that the test chemical is not-readily biodegradable in nature.


1.2. Environmental fate and exposure risk



The test chemical 52605-52-4, if released intentionally or un intentionally into the environmental media. It is predicted that the test chemical would mostly accumulate in the soil up to 92.8 % followed by water (6.01%) and sediment (1.22%).


Table 2:Summary of estimated half-life and Mackay Fugacity model (level III) in freshwater, sediment and soil by EPI suite version 4.1:



Predicted half-life

Mackay fugacity model level III

fresh- or estuarine water

180 days


fresh- or estuarine sediment

1620.833 days



360 days



The test chemical, 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride was estimated to be not readily biodegradable in nature, and it could be very persistence in soil. As the values obtained are predicted, thus it can be considered as persistent chemical rather than very persistent.

 2. Bioaccumulation assessment


The tested substance doesn’t meet the B criterion within Annex XIII based on the assessment that here follows:

 I.      The data from the section 4.7, on partition Coefficient n-octanol/water of test chemical is 0.301 at 28°C at pH-3.81. Based on the low logKow values (below 4) it is expected that the test chemical will have very low potential to get bioaccumulate in the aquatic organisms.

3.    Toxicity assessment


The tested substance doesn’t meet the T criterion within Annex XIII based on the assessment that here follows:




The substance didn’t fulfil the criteria for the mammalian toxicity, neither CMR nor STOT RE as per ANNEX XIII of PBT classification.


3.2Freshwater organisms

The test chemical was evaluated to observe any adverse effects caused to the aquatic organisms. By analysing all the eco-tox endpoints of the test chemical, the test chemical can possess toxic effects between concentration ranging 0.495-11.8 mg/L. All the LC50 and EC50 values classify the chemical into the category 2 as per CLP criteria. Based on the ECOSAR 1.11 program, the NOEC values for the fish and daphnia are 0.547 and 0.495, respectively. Thus, relying on the predicted data for long term studies. it can be concluded the test chemical is not toxic as per PBT criteria of classification.


Overall conclusion about Persistence, Bioaccumulation and Toxicity (PBT).

Based on critical, independent and collective evaluation of information summarized herein, the tested compound didn’t meet the B- and T criterion within Annex XIII. Hence, the tested compound has not been classified as a PBT compound within Annex XIII.