Registration Dossier
Registration Dossier
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EC number: 229-646-3 | CAS number: 6639-62-9
Endpoint summary
Administrative data
Description of key information
Experimental acute aquatic toxicity data are not available for the substance.
According to QSAR Toolbox, the substance is profiled in the US-EPA New Chemical Categories as Esters.
This category includes all esters, polyesters, vinyl esters, allylic esters, propargylic esters, aliphatic esters, aromatic esters, carboxylic acid esters, and sulfonate esters. These compounds need to be absorbed to be toxic, therefore, compounds with MWs > 1000 will be excluded from this category. Acute toxicity for esters which are liquids at room temperature is known to be limited by the octanol/water partition coefficient (Kow). Above a log Kow value of => 5.0, esters show no effects at saturation during 96-h exposures (Veith et al 1984). Esters which are solids at room temperature may show no toxicity at saturation at lower Kow values depending on the melting point, i.e., the higher the melting point at a given Kow, the greater the likelihood that no acute toxicity will be observed at saturation. For solids, the no-effects-at-saturation point has to be determined on a case-by-case basis. The Kow limit for chronic toxicity is set at a log Kow = 8 for liquid esters. For solid esters, chronic toxicity testing will determine this Kow limit.
Hazard Concerns. The toxicity for simple esters has been determined through SAR Analysis (Clements 1988). Esters are known to be more toxic than neutral organic chemicals, and this excess toxicity decreases with increasing Kow. The toxicity for vinyl esters, allylic esters, and propargylic esters is expected to be greater than for simple esters. Again, the additional excess toxicity of these vinyl esters, allylic esters, and propargylic esters is expected to decrease with increasing Kow.
Members of this category exhibit toxicity ranging from low toxicity (i.e., > 100 mg/L) to high toxicity (i.e., < 1 mg/L) depending on their Kow, MW, and melting point.
Boundaries. There are no known lower boundaries. The upper boundaries will be based on Kow and MW. Acute toxicity is expected when log Kow < 5.0; no effects at saturation during 96-h exposures when log Kow > 5.0. The upper boundary for chronic toxicity is 8.0. MW will be < 1000. The environmental base set of tests will be requested for aquatic releases and the terrestrial base set of tests will be recommended for terrestrial exposures. When the log Kow is > 5.0, chronic toxicity testing with fish and daphnids will be recommended.
Fate: Esters are subject to both abiotic and biotic hydrolysis, i.e., ester hydrolysis, and aerobic biodegradation. Aerobic biodegradation is expected to be the dominant route of transformation in the environment.
Overall, available information is inconclusive for the classification of the substance.
Additional information
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