1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine

PBT assessment

PBT assessment: overall result

PBT status:

the substance is not PBT / vPvB

Justification:

Classification of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine for effects in the environment:

 

The chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine (CAS no. 39577-43-0) is used for chemical synthesis as well as a laboratory reagent. The aim was to assess whether the PBT criterion within Annex XIII was fulfilled for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine. 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.

 

 

Persistence assessment

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

 

Biotic degradation

 

Various experimental studies for the target compound1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine(CAS No. 526 -75 -0) 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 chemical1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine(CAS No. 39577-43-0) was estimated.Test substance undergoes 0.76% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 1 -(3 -chlorophenyl)-4 -(3 -chloropropyl)piperazine 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 1 -(3 -chlorophenyl)-4 -(3 -chloropropyl)piperazine (CAS No. 39577-43-0) 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 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is expected to be not readily biodegradable.

 

Further, various supporting studies for read across substances (CAS: 81-88-9 and 101-61-1), also indicate that the substances are not readily biodegradable in nature.

 

Environmental fate

According to the fugacity model levels III, the most likely environmental fate for this test chemical is soil (i.e.estimated to 92.8%).In soil, 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinewas expected to have negligible to slow mobility based upon an estimated Log KOC in the range 2.91 – 3.4. Thehalf-life in soil (360 days estimated by EPI suite) indicates that the chemical is persistent in soil and the exposure risk to soil dwelling animals is moderate to high.

 

If released in to the environment, 6.01% and 1.22 % of the chemical will partition into water and sediment according to the Mackay fugacity model level III in EPI suite version 4.1 (2017). The half-life (180 days in water and 1620 days in sediment estimated by EPI suite) indicates that the substance is persistent in both the compartments.

 

Although the half-life values suggest classification as very persistent (vP), the substance is classified only as persistent (P) since only estimated half-life values are available for the same. Hence it has been concluded that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is persistent in nature.

 

 

Bioaccumulation assessment

The tested substance does not fulfil the B criterion within Annex XIII based on the assessment that here follows:

 

The estimated BCF value from various databases was determined to be in the range 1 - 412 and theestimatedoctanol water partition coefficient of the test chemical is 3.64 which is less than the threshold of 4.5. If this chemical is released into the aquatic environment, there should be a low risk for the chemical to bioaccumulate in fish and food chains.

 

Toxicity assessment

The tested substance does not fulfil the T criterion within Annex XIII based on the assessment that here follows:

 

Mammals

The tested chemical is regarded to be not classified for carcinogenicity, mutagenicity and reprotoxicity, Further, there is no evidence of chronic toxicity, as identified by the classifications STOT (repeated exposure), category 1(oral, dermal, inhalation of gases/vapours, inhalation of dust/mist/fume) or category 2 (oral, dermal, inhalation of gases/vapours, inhalation of dust/mist/fume).

 

Aquatic organisms

All of the available short-term eco-toxicity estimation for invertebrates and algae for the substance indicates the LC50/EC50 value to be >100 mg/L. These value suggest that the substance is likely to be non-hazardous to Aquatic organisms at environmentally relevant concentrations and can be considered to be not classified as per the CLP regulation.

 

There are no available long-term toxicity evaluations for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine. By speculation, long-term NOEC for aquatic organisms were not expected for the substance at concentration below 0.01 mg/L based on the data mentioned above.

 

The chemical was therefore not considered as hazardous to aquatic environments as per the criteria set out in Annex XIII.

 

Conclusion

Based on critical, independent and collective evaluation of information summarized herein, the tested compound fulfils the P criterion but does not fulfil the B and T criterion and has therefore not been classified as a PBT compound within Annex XIII.