Piperazine

PBT assessment

PBT assessment: overall result

PBT status:

the substance is not PBT / vPvB

Justification:

Piperazine:
Based on the available experimental data supported with the estimated data for the substance it can be concluded that the substance ist not readily biodegradable. Therefore, the substance is assessed to be P/vP from a precautionary point of view. However, the substance is not B/vB based on the experimental  BCF value of < 3.9 L/kg (MITI, 1979). This result was supported by the estimated BCF value which is in the range between 3 and 9.3 L/kg (BASF SE, 2020).
The substance is considered to be T since piperazine is classified as toxic for reproduction (category 2).

Metabolites:

The degradation products were assessed using the QSAR model CATALOGIC 301C v11.16 (OASIS Catalogic v5.14.1.5; see IUCLID Ch. 5.2.1). 

CATALOGIC 301C v11.15 (OASIS Catalogic v5.13.1) predicted for piperazine 8 metabolites, identifying 2 metabolites as relevant degradation products in terms of PBT/vPvB assessment, with an estimated quantity of ≥ 0.1%.

Table 1. The predicted metabolites from the CATALOGIC 301C v11.16 estimation model with an estimated quantity of ≥ 0.1%

#	Smiles	Quantity [mol/mol parent]	log Kow	BOD (%)
	CAS 110-85-0 (C1CNCCN1)
1	NCC(O)=O	0.0027	-3.4	62
2	NCCN	0.0012	-1.6	67
3	NCCNCC(O)=O	0.0007	-3.9	73
4	OC1CNCCN1	8.99E-06	-2.3	75
5	NCC=O	0	-1.6	72
6	OC(=O)C=O	0	-1.4	100
7	NCCNCC=O	0	-2.2	76
8	OC(=O)C(O)=O	0	-1.7	100

(metabolite no: according to (Q)SAR model CATALOGIC 301C v11.16 – July 2018 (OASIS CATALOGIC v5.14.15))

Persistence (“P/vP”):

All relevant metabolites were calculated to be readily biodegradable (≥ 60% after 28 days, based on BOD), thereby not fulfilling the screening criteria as potentially P/vP.

Bioaccumulation (“B/vB”):

All metabolites have a log Kow ≤ 3, thereby not fulfilling the screening criteria for bioaccumulation (B/vB) as laid down in Section 3.1 of REACH Annex XIII. In conclusion, all (relevant) predicted metabolites are not expected to significantly accumulate. For details see the attached file “110-85-0_The predicted relevant metabolites from the CATALOGIC 301C v11.16.pdf” in IUCLID Ch. 13.2

Toxicity (“T”):
As the predicted degradation products are not likely to fulfill at the same time both the P/vP and B/vB criteria , no information was collected on their toxicity properties.
Overall conclusion:
1.  Sufficient data are available to assess the PBT/vPvB properties of the substance.
2.  Potentially relevant degradation products were modeled using (Q)SARmodel CATALOGIC 301C v11.16 as a worst-case approach:
2a. Based on modeled data relevant degradation products present in concentration of ≥ 0.1% (equivalent to quantity setting in OASIS CATALOGIC: ≥0.001 [mol/mol parent]) do neither fulfill the PBT criteria (not PBT) nor the vPvB criteria (not vPvB).

In conclusion, the substance is not a PBT/vPvB substance.