Registration Dossier
Registration Dossier
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EC number: 283-563-7 | CAS number: 84682-03-1
Endpoint summary
Administrative data
Description of key information
Studies of the aquatic toxicity of zinc 3,5,5-trimethyl hexanoate are not available. Read-across to the assessment entities soluble zinc substances and trimethylhexanoic acid (and its structural analogue neodecanoic acid) is applied for the assessment of zinc 3,5,5-trimethyl hexanoate since the ions of zinc 3,5,5-trimethyl hexanoate determine its fate and toxicity in the environment.
Reliable data available for soluble zinc substances and trimethyl hexanoate and its structural analogue neodecanoate indicate that the moiety of ecotoxicological concern are zinc cations.
Acute (short-term) toxicity data: The lowest EC/LC50 values of 3 trophic levels (algae, invertebrates and fish) for zinc range from are 0.136 mg Zn/L to 0.78 mg Zn/L depending also on solution pH and hardness whereas EC/LC50 values of neodecanoic acid (structural analogue of trimethyl hexanoic acid) are >100 mg/L. This is supported by QSAR-based estimations for trimethyl hexanoic acid. According to the QSAR-based outcome of the model ECOSAR v.2.0, trimethyl hexanoic acid has also a low potential for acute toxicity since the 48-h EC/LC50 values were estimated with 65.0, 52.3 and 81.4 mg/L for freshwater algae, daphnids and fish, respectively.
Chronic (long-term) toxicity: For zinc, 23 distinct chronic species ecotoxicity values were used applying the SSD approach and “species mean” NOEC values used for PNEC derivation range from 19 to 530 µg/L with a resulting HC5 of 20.6 µg Zn/L. Reliable chronic data are available from GLP-conform guideline studies for two trophic levels and point to a low potential for toxicity of trimethyl hexanoic acid, a 21-d NOEC of 4.78 mg/L neoheptanoic acid (structural analogue) and a 14-d NOEC of 2.22 mg/L neodecanoic acid (structural analogue) for the growth of Oncorrhynchus mykiss. This is supported by QSAR-based estimations for trimethyl hexanoic acid. According to the QSAR-based outcome of the model ECOSAR v.2.0, trimethyl hexanoic acid has also a low potential for toxicity since chronic effect values ChV (ChV = 10^([log (LOEC x NOEC)]/2)) were estimated with 22.4, 7,2 and 9.2 mg/L for freshwater algae, daphnids and fish, respectively.
Regarding the toxicity to aquatic microorganisms, the lowest NOEC for nitrification inhibition amounts to 0.1 mg Zn/L based on an ISO 9509 nitrification inhibition test. The potential of neodecanoic acid (structural analogue of trimethyl hexanoic acid) for toxicity to microorganisms is low based on a NOEC value of ≥ 200 mg/L.
Additional information
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