3-acetamido-5-amino-4-hydroxybenzenesulphonic acid

Endpoint summary

Additional information

Stability :

Phototransformation in air:

The atmospheric oxidation half-life of3-acetamido-5-amino-4-hydroxybenzenesulphonic acid was estimated using the level III multimedia model. It was estimated that the substance is not persistent in air medium as the half life period of3-acetamido-5-amino-4-hydroxybenzenesulphonic acid in air is only 0.16 days. This indicates that3-acetamido-5-amino-4-hydroxybenzenesulphonic acid is rapidly phototransformed in air.

Hydrolysis:

The Hydrolysis rate constant of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid is estimated to be 0.0000000001012748 cm3/molecule-sec at half life of 1.267 Hrs.The estimated half life of the substance indicates that the substance is rapidly hydrolysable.

Phototransformation in Water :

No experimental data available. As this study is not a standard information requirement in REACH and there is no indication from the CSA on the need to investigate further the fate and behaviour of the substance (Annex X requirement), no further testing is considered necessary.

Phototransformation in Soil :

No experimental data available. As this study is not a standard information requirement in REACH and there is no indication from the CSA on the need to investigate further the fate and behaviour of the substance (Annex X requirement), no further testing is considered necessary

Biodegradation :

Biodegradation in water:

According to PBT profiler 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid is 50% biodegradable in water in 38 days (half-life).

Also from QSAR prediction it is found that the substance is 69.9% degradable in 28 days.

Biodegradation in water and sediments:

3-acetamido-5-amino-4-hydroxybenzenesulphonic acid is 50% biodegradable in water in 38 days (half-life) indicating that it is not persistent (readily biodegradable) in water while in sediment in it is 50% biodegradable in 340 days(8160 hrs) (half-life) indicating that it is persistent(not readily biodegradable) in sediment. However, since there is no diffusion of the substance in the sediment as evident from the reported data (0% in sediment) and hence persistence in the sediment compartment is not likely to be critical.

Biodegradation in soil:

The PBT Profiler & EPI Suite has estimated that 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid 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, 1800 hrs (75 days). This exceeds the EPA criteria of >= 2 months (and <= 6 months). Therefore, 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid is estimated to be persistent in the soil environment.

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.

According to various QSAR predictions the BCF value of3-acetamido-5-amino-4-hydroxybenzenesulphonic acidis estimated to be 6.384377.

As these values does not exceed the EPA bioconcentration criteria of >=1000it can be concluded that 3-acetamido-5-amino-4-hydroxybenzene sulphonic acidis not expected to bioaccumulate in the nature.

Adsorption/desorption:

Soil Adsorption coefficient (Koc) value of 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid is estimated to be 10 by MCI method(EPI Suite) and Sabljiic molecular connectivity method(DEPA QSAR study) indicating it has high mobility in the soil.Thus the substance shows negligible sorption to soil and sediment and rapid migration potential to groundwater.The key value of 10(25 deg c) when converted at 20 deg c is equivalent to 8.

Henrys 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 value of 3-acetamido-5-amino-4-hydroxy benzenesulphonic acid is estimated to be 1.06E-22 atm-m3/Mole=1.074045106e-17 Pa m³/mol by bond contribution method.