Registration Dossier
Registration Dossier
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EC number: 252-917-2 | CAS number: 36211-43-5
Endpoint summary
Administrative data
Description of key information
Studies of the aquatic toxicity of barium 3,5,5-trimetylhexanoate are not available. Read-across to the assessment entities soluble barium substances and trimethylhexanoic acid (and its structural analogue neodecanoic acid) is applied for the assessment of barium 3,5,5-trimethylhexanoate since the ions of barium 3,5,5-trimethylhexanoate determine its fate and toxicity in the environment.
Acute (short-term) toxicity data:
EC/LC50 values of 3 trophic levels (algae, invertebrates and fish) range for barium from > 1.15 mg Ba/L to 14.5 mg Ba/L whereas EC/LC50 values of neodecanoic acid (structural analogue of trimethylhexanoic acid) are >100 mg/L. This is supported by QSAR-based estimations for trimethylhexanoic acid. According to the QSAR-based outcome of the model ECOSAR v.2.0, trimethylhexanoic 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: NOEC/EC10 values of 3 trophic levels (algae, invertebrates and fish) range from ≥ 1.15 mg Ba/L to 2.9 mg Ba/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.
The potential of barium cations for toxicity to aquatic microorganisms is low since the 3-h NOEC for respiration inhibition is >= 1000 mg/L BaCl2. Also, neodecanoic acid (structural analogue of trimethyl hexanoic acid) has a low potential for toxicity to microorganisms based on a NOEC of ≥ 200 mg/L.
Additional information
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