Registration Dossier
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EC number: 234-204-8 | CAS number: 10595-49-0
Long-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
Description of key information
A NOEC of 0.037 mg/L for invertebrates was calculated based on reliable QSAR model results.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 0.037 mg/L
Additional information
No reliable long-term toxicity data are available for the toxicity of the test substance 10595-49-0 to invertebrates. However, modelled data are available and included in the dossier. Ramboll (2019) undertook reliable (Klimisch 2) study for 10595-49-0 using the QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program to estimate long-term toxicity to invertebrates. The ECOSAR model estimates aquatic toxicity based on the structural similarity to chemicals for which aquatic studies are available.
3-(dodecanoylamino)-N,N,N-trimethylpropan-1-aminium methyl sulphate (10595-49-0), is a cationic amino quaternary amine surfactant with a methyl sulfate counterion. It is expected to completely dissociate in water at environmentally relevant pH. Consequently, for aquatic toxicity, the two separate ionic constituents are the toxicologically relevant species. The methyl sulphate moiety predominantly behaves as inorganic sulphate ion and its aquatic effects are well understood.
The model was run to provide chronic toxicity results (the geometric mean of the NOEC and LOEC) for the cationic amino quaternary amine surfactant (including the 3 separate incorporated QSARs) and the methyl sulphate counterion. The lowest ChV was 0.052 mg/L based on the for aliphatic amines which is the lowest value of the three groups. As per REACH Guidance Ch 10, a NOEC can be calculated from the chronic value by dividing the ChV by √2. Therefore, the calculated NOEC = 0.037 mg/L for the aliphatic amines category and consequently will be taken for the long-term toxicity to invertebrates endpoint.
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