3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate

PBT assessment

PBT assessment: overall result

Reference

Name:

3,5,5 trimethylhexyl 3,5,5 trimethylhexanoate

Type of composition:

boundary composition of the substance

State / form:

liquid

Reference substance:

3,5,5 trimethylhexyl 3,5,5 trimethylhexanoate

PBT status:

the substance is not PBT / vPvB

Justification:

The PBT Assessment for 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate (CAS 59219-71-5) is based on the criteria set out in the “Guidance on information requirements and chemical safety assessment, Chapter R.11: PBT Assessment” (ECHA, 2014).

Persistence

Based on read across to branched-nonyl 3,5,5 trimethylhexanoate (EC 701-133-3), the substance 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate (CAS 59219-71-5) is readily biodegradable (OECD 301B, 91% CO2 evolution after 28 d). Thus, the test substance does not meet the screening criterion for persistency and it is not considered to be P or vP.

Bioaccumulation

The bioaccumulation factor (BCF) of 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate (CAS 59219-71-5) was estimated using a reliable QSAR model (BCFBAF v3.01; Gerloff-Elias, 2015). The substance fell in the applicability domain of the model indicating that the results are reliable and can be used to assess the bioaccumulation potential of 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate. The BCF/BAF was calculated to be 152.9 / 703.9 L/kg (upper trophic) using the model of Arnot-Gobas which includes biotransformation. In conclusion, 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate has a low potential for bioaccumulation and the highest calculated BAF of 703.9 L/kg is clearly below the trigger value of 2000 L/kg to be classified as bioaccumulative (B-criterion) in the PBT assessment. Thus, taking all information into account, the test substance is not considered to be B or vB.

Toxicity

Long-term toxicity testing with the read across substance branched-nonyl 3,5,5 trimethylhexanoate (EC 701-133-3) resulted in a NOELR (21 d) of ≥ 100 mg/L (OECD 211; nominal) for Daphnia magna. All available short-term toxicity data did not result in any toxicity up to the water solubility limit. Moreover, 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate (CAS 59219-71-5) is not classified according to Directive 67/548/EEC and Regulation (EC) No. 1272/2008. Thus, the criteria set out in Annex XIII of Regulation (EC) No. 1907/2006 are not met and the test substance is not considered to meet the T criterion.

Conclusion

In conclusion the substance is not considered to meet the criteria to be classified as PBT or vPvB based on the available data.