Octanoic acid, compound with octylamine (1:1)

Endpoint summary

Additional information

There is no experimental data on genetic toxicity for caprylamine caprylate. The genetic toxicity of caprylamine caprylate is derived from the available data of octanoic acid and coco (source chemicals), and (Q)SAR analysis using OECD QSAR toolbox and DEREK Nexus. The source chemical coco alkylamines and octanoic were tested for mutagenic potential using bacterial reverse mutation assay (Ames test) and the results indicated that both chemicals are not mutagenic. Caprylamine caprylate is assessed using OECD QSAR Toolbox and the rule based expert system DEREK Nexus based on its chemical structure. The target chemical is predicted as negative for mutagenicity from both (Q)SAR analysis tools. After appraisal of the evidence it was concluded the substance was not mutagenic.

The analogue approach using octanoic acid, octylamine, dodecylamine and coco alkylamines source chemicals is justified:

The target chemical caprylamine caprylate is an ionic compound that results from the neutralization reaction of the compounds of octanoic acid and octylamine. In aqueous solution or in a biological fluid, it could be dissociate as octanoic acid and octylamine. Therefore, the toxicity toxicological profile of the target chemical should be comparable to that of octylamine and octanoic acid. Based on the basic concept of “chain length category”, the use of toxicity data of other fatty amines for read-across purpose to octylamine and the target chemical is justified. The dissociated product of the target chemical – octylamine and the source chemicals of dodecylamine and coco alkylamines belong to the homologues series of fatty amines and form a “chain length category”, where there is an incremental increase in the number of CH2 units. Therefore, it can be reasonably assumed that octylamine and other fatty amines (dodecylamine and coco alkylamines) share the same toxic mode of action.

All the chemicals are assessed using the rule based expert system DEREK Nexus based on their chemical structures. The assessment results are identical for the target chemical octylamine, dodecylamine and coco alkylamines: all the chemicals are predicted as negative for mutagenicity in bacteria. No toxicity potential or structure alert is identified.

Short description of key information:
Genetic toxicity:
- Ames test (coco alkylamines): negative
- Ames test (octanoic acid): negative
- (Q)SAR analysis using OECD QSAR Toolbox (caprylamine caprylate): negative
- (Q)SAR analysis using DEREK Nexus (caprylamine caprylate): negative

Endpoint Conclusion: No adverse effect observed (negative)

Justification for classification or non-classification

Based on the available information, no genotoxic potential is derived for caprylamine caprylate, and therefore classification for this end point is not warranted according to the criteria laid down in the EU Dangerous Substances Directive (67/548/EEC) and in the EU Classification Labelling and Packaging Regulation (1272/2008/EC).