Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate

Endpoint summary

Additional information

The substance is a liquid at ambient temperature. It is highly insoluble in water (3.44 x 10^-4g/L), has a low volatility (vapour pressure = 1.8x 10^-5Pa at 25 °C) and has a high affinity for soil / sediment (log Koc in the range 5.14 to greater than 5.63). As such, any environmental release will result in most of the substance compartmentalising into the soil and sediment compartment, with little release directly to atmosphere.

 

An EPIWIN estimation have been undertaken on the most abundant structures present in the substance. The following partitioning data have been derived based on the EPIWIN Fugacity III model (Mackay et al. 1996):

-         Air                       0.0629 to 0.691%

-         Water                   13.3 to 19.9%

-         Sediment                9.45 to 21.6%

-      Soil                         65 to 71.6%

 

Based on the model available, the substance will have a tendency to bind tightly primarily to soil and is likely to persist in the soil rather than distribute to soil pore water.

Based on the results of two studies, the read-across substance, decanoic acid, ester with 2-ethyl-2-(hydroxymethyl) -1,3-propanediol octanoate, is considered to be readily biodegradable. In the key study conducted according to OECD Guideline 301B, the biodegradation of the read-across substance was 72% after 28 days. In the supporting study conducted according to OECD Guideline 301B (with restrictions), the biodegradation was 79% after 29 days and 78% after 10 days. Therefore, by read-across, heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl) -1,3-propanediol pentanoate is considered to be readily biodegradable.

On the basis of a weight of evidence approach using QSAR models, there is sufficient information available to state that the substance is not bioaccumulative in aquatic species. Whilst it is not possible to provide a definitive BCF value for the substance, the result is not above the threshold value quoted in the Regulation of 2000 or 5000 which indicates the potential to bioaccumulate. Therefore, the substance is not considered to be “bioaccumulative” or “very bioaccumulative” on the basis of the available data.

Finally, by read-across, the substance demonstrates low acute toxicity in mammalian studies. The substance is also not expected to bioaccumulate in the event of exposure of higher level organisms via ingestion of environmental organisms, therefore effects due to secondary poisoning can be excluded.