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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Read-across approach


In the assessment of the environmental fate, ecotoxicity and toxicity of calcium 3,5,5-trimethylhexanoate (CAS: 64216-15-5), a read-across approach from data for the metal cation (calcium) and the organic anion (3,5,5-trimethylhexanoate) is followed. This read-across strategy is based on the observation that upon dissolution in aqueous media, calcium 3,5,5-trimethylhexanoate completely dissociates and only is present in its dissociated form, i.e. as calcium cations and 3,5,5-trimethylhexanoate anions. Data on the environmental fate, ecotoxicity and toxicity for both transformation products (calcium cation and 3,5,5-trimethylhexanoate anion) together can therefore be combined in an additive approach to predict the corresponding properties of calcium 3,5,5-trimethylhexanoate.


A detailed justification for the read-across approach is added as a separate document in section 13 of IUCLID.


Upon dissolution and dissociation of calcium 3,5,5-trimethylhexanoate into the calcium cation and 3,5,5-trimethylhexanoate anion, both ions will each show the proper (bio)degradation, bioaccumulation and partitioning behaviour in the environment, as reported for the corresponding ion. The environmental fate and behaviour for the calcium cation and 3,5,5-trimethylhexanoate anion is predicted to be clearly different from each other, resulting in a different relative distribution over the environmental compartments (water, air, sediment and soil). Because the relative exposure to both constituent ions is hence predicted to be different from the original composition of calcium 3,5,5-trimethylhexanoate, data for the ecotoxicological properties of this substance tested as such are considered less relevant for its effects and risk assessment and a read-across approach from data for both the calcium cation and 3,5,5-trimethylhexanoate anion is preferred. The dose additivity approach is used to explain the ecotoxicological effects of calcium 3,5,5-trimethylhexanoate based on the data for the individual transformation products (calcium cation and 3,5,5-trimethylhexanoate anion).