N-(2-aminoethyl)-1,3-propanediamine

Short-term toxicity to fish

Description of key information

The test substance is with high probability acutely not harmful to fish.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Dose descriptor:

LC50

Effect concentration:

> 1 000 mg/L

Additional information

QSAR-disclaimer

In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.

According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.

For the assessment of N-(2-aminoethyl)-1,3-propanediamine (Q)SAR results were additionally used for the estimation of the short-term toxicity to fish. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.

Therefore, and for reasons of animal welfare additional experimental studies on aquatic toxicity are not provided

 

Assessment

The toxicity of N-(2-aminoethyl)-1,3-propanediamine (CAS 13531-52-7) was studied with Leuciscus idus in a static test according to national standards (DIN 38412, part L15). The study was performed without analytical monitoring. The study was performed without analytical monitoring, however, it is assumed that the test concentrations remained stable over the exposure period based on the substance's physico-chemical properties and its environmental fate. The test item is completely miscible with water (measured; see IUCLID Ch. 4.8), which is a pre-requisite to the reliable preparation of the test concentrations. The Substance will be evenly distributed in the test medium. In addition, it is highly unlikely that the Substance will precipitate from the test medium. Evaporation of the test item from the test medium is not to be expected based on the low vapour pressure of 0.036 hPa (measured at 20 °C; see IUCLID Ch. 4.6) and the low Henry's Law constant (4.17E-08 Pa*m³/mol, HENRYWIN v3.20; see IUCLID Ch. 5.4.2). In addition, the Substance is ionized at the environmentally relevant pH range (pKa = 10.51; estimated; see IUCLID Ch. 4.21), which further reduces any tendency of the Substance to evaporate into the atmosphere. Finally, loss of the test item from the test medium due to adsorption to the test vessels is unlikely as the Substance has a low adsorption potential (log Kow = -1.67, measured; see IUCLID Ch. 4.7; log Koc = 0.96 at pH 5 to 8, calculated according to Franco & Trapp; see IUCLID Ch. 5.4.1).

The 96-h LC50 was determined to be > 220 and < 460 mg/L without pH-adjustment of the test solutions (initial pH > 10). The highest test concentration of 1000 mg/L was tested in parallel after pH-adjustment. Only one fish (10%) died after 96 h of exposure in the pH-adjusted test solution compared to 100% mortality after 4 h in the not pH-adjusted assay; therefore, for environmentally relevant pH-conditions, a 96-h LC50 of > 1000 mg/L was determined (BASF AG, 1991).

The toxicity of N-(2-aminoethyl)-1,3-propanediamine to fish was additionally evaluated using the QSAR Toolbox v4.5. Two trend analyses were performed (BASF SE, 2022): 1) automated workflow for acute toxicity to fish as provided by the Toolbox; 2) automated workflow with refinement: removal of two datapoints with a lower water solubility than the effect value; and 3) trend analysis without support of the Toolbox workflow. In these models, the substance was within the applicability domain of the model.

1) The trend analysis resulting from the automated workflow (Pimephales promelas, 96-h LC50/EC50) resulted in a 96-h LC50 of 5370 mg/L.

2) The trend analysis resulting from the automated workflow with refinement (Pimephales promelas, 96-h LC50/EC50) resulted in a 96-h LC50 of 6520 mg/L.

3) The trend analysis including more fish species (typical test species of OECD 203, 96-h LC50) resulted in a 96-h LC50 of 3030 mg/L.

To strengthen the QSAR results, the KATE2020 model v3.0 from the Japanese NIES (2022) was also used to predict the acute toxicity to fish. The substance was within the applicability domain of the QSAR class "CNOS_X amine, w/o n" based on log Kow and structure. The 96-h LC50 was predicted to be 5100 mg/L (BASF SE, 2022).

The model ECOSAR v2.2 (US EPA, 2022) predicted a 96-h LC50 of  5800 mg/L classifiying the substance correctly as an aliphatic amine (BASF SE, 2022). The substance was within the applicability domain of the model.

The experimental and estimated LC50 values confirm the low sensitivity of the fish to N-(2-aminoethyl)-1,3-propanediamine.

Based on the available information, the test substance is with high probability acutely not harmful to fish.