Registration Dossier
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EC number: 264-731-9 | CAS number: 64216-15-5
Endpoint summary
Administrative data
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
No genetic toxicity study with calcium 3,5,5-trimethylhexanoate is available, thus the genetic toxicity will be addressed with existing data on the individual dissociation products calcium and 3,5,5-trimethylhexanoic acid.
Calcium 3,5,5-trimethylhexanoate is not expected to be genotoxic, since the two dissociation products calcium and 3,5,5-trimethylhexanoic acid have not shown gene mutation potential in bacteria and mammalian cells.
Additional information
Read-across approach
Selected endpoints for the human health hazard assessment are addressed by read-across, using a combination of data on the metal cation and the organic acid anion. This way forward is acceptable, since metal carboxylates are shown to dissociate to the organic anion and the metal cation upon dissolution in aqueous media. No indications of complexation or masking of the metal ion through the organic acid were apparent during the water solubility and dissociation tests (please refer to the water solubility and dissociation in sections 4.8 and 4.21 of IUCLID). Once the individual transformation products of the metal carboxylate become bioavailable (i.e. in the acidic environment in the gastric passage or after phagocytosis by pulmonary macrophages), the “overall” toxicity of the dissociated metal carboxylate can be described by a combination of the toxicity of these transformation products, i.e. the metal cation and carboxylate anion according to an additivity approach.
Calcium 3,5,5-trimethylhexanoate is the calcium salt of 3,5,5-trimethylhexanoic acid and readily dissociates to the corresponding divalent calcium cation and monovalent 3,5,5-trimethylhexanoate anions. The calcium cation and the 3,5,5-trimethylhexanoate anion are considered to represent the overall toxicity of calcium 3,5,5-trimethylhexanoate in a manner proportionate to the free acid and the metal (represented by one of its readily soluble salts).
A detailed justification for the read-across approach is added as a separate document in section 13 of IUCLID.
Genetic toxicity
No genetic toxicity study with Calcium 3,5,5-trimethylhexanoate is available, thus the genetic toxicity will be addressed with existing data on the dissociation products as detailed in the table below.
Table: Summary of genetic toxicity data of calcium 3,5,5-trimethylhexanoate and the individual constituents.
| calcium substances | 3,5,5-trimethylhexanoic acid (CAS# 3302-10-1) | Calcium 3,5,5-trimethylhexanoate (CAS# 64216 -15 -5) |
In vitro gene mutation in bacteria | negative (weight of evidence) | negative | negative |
In vitro cytogenicity in mammalian cells or in vitro micronucleus test | negative | negative | |
In vitro gene mutation study in mammalian cells | negative | negative |
Calcium 3,5,5-trimethylhexanoate is not expected to be genotoxic, since 3,5,5-trimethylhexanoic acid has not shown gene mutation potential in bacteria and mammalian cells as well as in vitro clastogenicity. Calcium as an essential element is widely distributed throughout the human body (predominantly stored in bone and teeth) and a daily dietary requirement of approx. 1000 mg varying by status and age. Assuming that such an essential element shows any genotoxic potential would be grossly implausible. Thus, calcium 3,5,5-trimethylhexanoate is not to be classified according to regulation (EC) 1272/2008 as genetic toxicant. Further testing is not required. For further information on the toxicity of the individual constituents, please refer to the relevant sections in the IUCLID and CSR.
Justification for classification or non-classification
Calcium 3,5,5-trimethylhexanoate is not expected to be genotoxic, since 3,5,5-trimethylhexanoic acid has not shown gene mutation potential in bacteria and mammalian cells as well as in vitro clastogenicity. Calcium as an essential element is widely distributed throughout the human body (predominantly stored in bone and teeth) and a daily dietary requirement of approx. 1000 mg varying by status and age. Assuming that such an essential element shows any genotoxic potential would be grossly implausible. Thus, calcium 3,5,5-trimethylhexanoate is not to be classified according to regulation (EC) 1272/2008.
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