Fatty acids, C7-9, tetraesters with pentaerythritol

Endpoint summary

Additional information

There are currently no data available investigating the aquatic toxicity of Tetraesters of pentaerythritol with heptanoic acid and 3,5,5-trimethylhexanoic acid (List number 805-289-4). In order to fulfil the standard information requirements, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006, read-across from structurally related substances was conducted.

In accordance with Article 13 (1) of Regulation (EC) No 1907/2006, "information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI are met.”. In particular for aquatic toxicity, information shall be generated whenever possible by means other than vertebrate animal tests, which includes the use of information from structurally related substances (grouping or read-across).

Having regard to the general rules for grouping of substances and read-across approach laid down in Annex XI, Item 1.5, of Regulation (EC) No 1907/2006 whereby substances may be predicted as similar provided that their physicochemical, toxicological and ecotoxicological properties are likely to be similar or follow a regular pattern as a result of structural similarity.

The target substance and all source substances are considered to be similar on the basis of the structural similar properties and/or activities. The available endpoint information on the source substances is used to predict comparable results for the target substance Tetraesters of pentaerythritol with heptanoic acid and 3,5,5-trimethylhexanoic acid (List number 805-289-4).

The target substance is characterized as a tetraester of pentaerythritol and heptanoic acid and 3,5,5-trimethylhexanoic acid. The four source substances are structurally very similar to the target substance. Tetra-esterification products of C5, C7, C8, C10 fatty acids with pentaerythritol (CAS 68424-31-7) is a UVCB substance consisting of C5-C10 fatty acids tetra-esterified with pentaerythritol. 3,5,5-trimethylhexanoic acid mixed tetraesters with PE and valeric acid (CAS 131459-39-7) is mainly a tetraester of 3,5,5 -trimethylhexanoic acid and pentaerythritol. Fatty acids, C5-9 tetraesters with pentaerythritol (CAS 67762-53-2) is characterized as a tetraester of pentaerythritol with fatty acids of C5-C9. The source substance Fatty acids, C8-10 (even numbered), di-and triesters with propylidynetrimethanol (CAS 11138-60-6) is a triester of trimethylolpropane and C8-C10 fatty acids (even numbered). A detailed analogue approach justification is provided in the technical dossier (see IUCLID Section 13).

All experimental studies available for the suitable source substance were performed according to internationally accepted guidelines. They cover all three trophic levels of an aquatic ecosystem. No toxicity was observed up to the limit of water solubility in all available experimental studies. The water solubility of the target substance was determined to be very low with a concentration of 0.09 - 10.65 µg/L.

The short-term toxicity to fish was determined in standard OECD guideline studies according to OECD 203 and/or EU Method C.1 (from the source substances CAS 68424-31-7, CAS 131459-39-7 and CAS 67762-53-2). No mortality was observed after 96 h resulting in a LL(C)50 > 100 mg/L or > 1000 mg/L (i.e. above the water solubility limit). The same was recorded for the short-term toxicity to aquatic invertebrates and to aquatic algae. No immobilization of Daphnia magna and no inhibition of growth of aquatic algae were observed in experimental studies according to OECD guidelines up to the limit of water solubility.

Due to the low water solubility, long-term testing with aquatic invertebrates was considered to be necessary to assess the aquatic toxicity. A result for a long-term toxicity study is not yet available and the dossier as well as the chemical safety assessment will be updated once the final study report is available.

Long-term toxicity testing to fish was not considered to be necessary since there was no evidence from the available data that fish are more sensitive compared to aquatic invertebrates. No toxicity to fish was observed in the available acute tests. Thus, in order to avoid unnecessary vertebrate testing, no long-term testing with fish was proposed. However, the chemical safety assessment will be updated once the chronic study with aquatic invertebrates becomes available.

The degradation process in commercial sewage treatment plants is not suspected to be inhibited by the target substance. A toxicity control from a biodegradation study according to OECD 301F did not indicate any inhibition of biodegradation up to a concentration of 102.5 mg/L and the substance was readily biodegradable.

Based on the results from structurally related source substances (in accordance to Regulation (EC) No 1907/2006 Annex XI, 1.5) it can be concluded that the target substance Tetraesters of pentaerythritol with heptanoic acid and 3,5,5-trimethylhexanoic acid exhibits no toxic effects on freshwater organisms up to the limit of the water solubility. As it can be seen in the data matrix of the analogue justification in IUCLID Section 13, all reliable data from the source substances support the read-across by showing a consistent pattern of results.