Decanoic acid, mixed esters with octanoic acid and pentaerythritol

Endpoint summary

Additional information

There is only limited data available for the aquatic toxicity of Tetraesters of 2,2-bis(hydroxymethyl)propane-1,3-diol and decanoic and octanoic acid (CAS 68441-68-9). Therefore, the aquatic hazard of the target substance was assessed by a read-across approach to structurally and chemically related substances in order to fulfill the standard information requirements laid down by Annex XI, 1.5, of the REACH Regulation (EC) No 1907/2006.

According to Article 13 (1) of this regulation, "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). In regard to the general rules for grouping of substances and the read-across approach, the regulation specifies (Annex XI, Item 1.5) that 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 Tetraesters of 2,2-bis(hydroxymethyl)propane-1,3-diol and decanoic and octanoic acid (CAS 68441-68-9) is a polyol ester consisting of unbranched saturated C8 and C10 fatty acids and the polyolic fatty alcohol pentaerythritol (PE, C5), a polyol with four hydroxyl groups. Two structurally related substances were selected for read-across, namely Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid (CAS 71010-76-9) and Fatty acids, C8-10 mixed esters with dipentaerythritol, isooctanoic acid, pentaerythritol and tripentaerythritol (CAS 189200-42-8). Both source substances contain the fatty alcohol pentaerythritol (PE, C5) as representative polyol moiety. The source substance Decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid (CAS 71010-76-9) consists of C5, C7, C8, and C10 fatty acids. The source substance Fatty acids, C8-10 mixed esters with dipentaerythritol, isooctanoic acid, pentaerythritol and tripentaerythritol (CAS 189200-42-8) is characterized by a fatty acid chain length of C8 - 10.

Due to the high degree of similarity between the structural and physico-chemical properties, the selected source substances are considered suitable representatives for the assessment of the aquatic toxicity of the target substance. On this basis, it is assumed that the target substance will exhibit a similar ecotoxicological profile as the source substances. Therefore, the aquatic hazard of the target substance is assessed with respect to the data compiled in this way. A detailed analogue approach justification is provided in the technical dossier (see IUCLID Section 13).

By means of the read-across approach, aquatic toxicity data for Decanoic acid, mixed esters with octanoic acid and pentaerythritol (CAS 68441-68-9) is available for the acute toxicity to all three trophic levels (fish, aquatic invertebrates and algae) and for the chronic toxicity to two trophic levels (aquatic invertebrates and algae).

The available data indicates no short-term or long-term toxicity towards aquatic freshwater organisms of all trophic levels up to the limit of the water solubility of the source substances. Furthermore, one read-across study indicates that the substance is not toxic to aquatic microorganisms.

Therefore, it can be concluded that Tetraesters of 2,2-bis(hydroxymethyl)propane-1,3-diol and decanoic and octanoic acid (CAS 68441-68-9) will not exhibit short-term or long-term effects to aquatic organisms up to the limit of water solubility (< 0.05 mg/L) and is not expected to affect the degradation process in commercial sewage treatment plants.