Allyl acetoacetate

Endpoint summary

Additional information

Phototransformation in air :

The atmospheric oxidation half-life of allyl acetoacetate was estimated using the level III multimedia model. Allyl acetoacetate has got an estimated half life of 0.36 days (8.64 h ) and hydroxyl radical reaction rate constant as0.000000000028cm³/molecule-sec at 25 degrees C. In addition, allyl acetoacetate disperses to only 1% in the air medium and hence, it can be inferred that allyl acetoacetate is not persistent in air medium and is easily phototransformed in air.

Hydrolysis :

The Hydrolysis rate constant of allyl acetoacetate is estimated to be 0.0000000000281136 (28.1136 E-12)cm3/molecule-sec at half life of 4.565 Hrs. The estimated half life of the substance indicates that the substance is moderately hydrolysable.

Biodegradation in water:

The half life period of allyl acetoacetate in water is 15 days and based on this value it can be concluded that the chemical is not persistent in water medium since the half life is less than the threshold of 60 days (to qualify the chemical as persistent). Also the diffusion percentage of allyl acetoacetate in water medium is 38%. This coupled with the dilution of water shall result in ready biodegradabililty of the chemical.

PBT Profiler data :

Media	Half life (days)	Percent in each medium
Water	15	38 %

 

Biodegradation in water and sediment :

Based on the Level III Fugacity Model, the half life period of allyl acetoacetate was estimated. The half life period of allyl acetoacetate in water is 15 days , therfore it is considered that the substance will qualify as not persistent as the half life does not exceed the EPA criteria of 60 days. So, it can be confirmed that the substance is readily biodegradable in water medium where as in sediment the half life is 140 days and based on this value, it can be inferred that the substance is persistent in sediment medium and is not readily biodegradable probably due to the anaerobic conditions existing in most sediments. However, it can be observed that allyl acetoacetate does not diffuse in the sediment medium since it's percentage in the sediment medium is reported to be 0% and hence persistence in the sediment compartment is not likely to be critical.

PBT Profiler data:

Media	Half-Life  (days)	Percent in Each Medium
Water	15	38%
Sediment	140	0%

 

Biodegradation in soil :

The PBT Profiler & EPI Suite has estimated that allyl acetoacetate is expected to be found predominantly in soil and its persistence estimate is based on its availability in this medium. Its half-life in soil, 30 days (720 hrs) which does not exceed the EPA criteria of >= 2 months (and <= 6 months). Therefore, allyl acetoacetate is estimated to be non-persistent in the soil environment.

PBT Profiler data :

Media	Half-Life  (days)	Percent in Medium
Soil	30	61%

 

Fugacity model by EPI Suite estimation database:

 

	Mass Amount (percent)	Half-Life (hr)	Emissions (kg/hr)
Soil	61.2	720	1000

 

	Fugacity (atm)	Reaction (kg/hr)	Advection (kg/hr)	Reaction (percent)	Advection (percent)
Soil	8.4e-011	721	0	24	0

Bioaccumulation: aquatic/sediment :

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 allyl acetoacetate is 3.2 which does not exceed the bioconcentration threshold of 1000. Thus it is concluded that allyl acetoacetate is not expected to bioaccumulate in the food chain because it does not exceed the BCF criteria of being bioacummulative in nature.

Adsorption :

Soil Adsorption Coefficient i.e Koc value of allyl acetoacetate was estimated as 10 by means of MCI method as well as PBT Profiler database. This indicates that allyl acetoacetate will have negligible tendency of sorption to soil and sediment alongwith rapid migration potential to groundwater.

The key value of Koc of 10 (25 degC) when converted at 20°C is equivalent to a value of 8 .

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. Henry's Law Constant of allyl acetoacetate at 25 deg C is 0.0157 Pa m³/mol.