4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

Endpoint summary

Additional information

Phototransformation in air:-

The atmospheric oxidation half-life of4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was estimated using the level III multimedia model. The overall persistence (Po) for4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-onein air is 44 days using the default emission scenario of the model. The estimated atmospheric oxidation estimates persistence based on a standard release scenario emitting equal amounts to soil, water, and air. It was estimated that the substance is not persistent in air medium as the half life period of 4-(2,6,6-trimethylcyclohex -1-ene -1-yl)- but-3- ene-2-one in air is only 0.021 days. However, since the percentage of4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one in air medium is 0 % it can be concluded that4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-oneis unlikely to be found in the atmosphere upon release in the environment.

Hydrolysis :

The Hydrolysis rate constant of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was estimated to be 0.0000000002385475 (238.5475 E-12 ) cm3/molecule-sec. at half life of the 0.538 Hrs. The estimated half life of the substance indicates that the substance is rapidly hydrolysable.

Biodegradation:-

Biodegradation in water :

4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is 50% biodegradable in water in 38 days (half-life) indicating 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is readily biodegradable in water.

 

Biodegradation in water and sediment :

Half life period of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one in water observed 912 hrs (38 days). (half-life) while in sediment it is 8160 hrs (340 days).Based on these half life values of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one, it is concluded that the chemical is readily biodegradable in water where as it is non biodegradable in sediment. Since there is low level of diffusion of the substance in the sediment as evident from the reported data (2% in sediment) hence persistence in the sediment compartment is not likely to be critical.

Biodegradation in soil :

The PBT & EPI Suite has estimated that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is expected to be found predominantly in soil and its persistence estimate is based on its availability in this medium. Half-life of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one in soil was estimated to be 1800 hrs i.e. 75 days. This value exceeds the threshold of >= 2 months (and <= 6 months). Therefore, 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is estimated to be persistent in the soil environment.

Bioaccumulation:-

Bioaccumulation is the process by which the chemical concentration in an aquatic organism achieves a level that exceeds that in the water, as a result of chemical uptake through all possible routes of exposure. The relationship between bioaccumulation and bio-concentration is that, chemicals that have the potential to bioconcentrate also have the potential to bioaccumulate. Bioaccumulation is closely related to the Bioconcentration factor (BCF).  

The estimated bioconcentration factor (BCF) for 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is 159, does not exceed the bioconcentration threshold of 1000. Thus it is concluded that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one is not expected to bioaccumulate in the food chain.

Adsorption / desorption

Soil Adsorption Coefficient i.e Koc value of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one was estimated as 666.7 L/kg by means of MCI method. This indicates that 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one will adsorb to the organic carbon fraction of the soil and will have only a slight tendency to move with the water content in the soil. This value of 666.7 when converted at 20°C is equivalent to Koc = 533.36

Henry's Law constant

Henry's Law states that at a constant temperature, the amount of a given gas that dissolves in a given type and volume of liquid is directly proportional to the partial pressure of that gas in equilibrium with that liquid. Henrys Law Constant of 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one which is a liquid at 25 deg C is 17.6 Pa m³/mol.