Disodium ar,ar'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[(4-chlorophenoxy)benzenesulphonate]

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

SOFTWARE
EpiSuite 4.1

MODEL
Biowin v.4.10

SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Details included in 'test material information' section.

Principles of method if other than guideline:

The biodegradability potential has been investigated by BIOWIN estimation tool, which calculates the probability that a chemical under aerobic conditions with mixed cultures of microorganisms will biodegrade rapidly or slowly.

GLP compliance:

no

Remarks on result:

not readily biodegradable based on QSAR/QSPR prediction

Linear model prediction (BIOWIN 1): -0.6375

Non-linear model prediction (BIOWIN 2): 0.000

Ultimate biodegradation timeframe prediction (BIOWIN 3): 0.8683 (recalcitrant)

Primary biodegradation timeframe prediction (BIOWIN 4): 2.2939 (weeks-months)

MITI linear model (BIOWIN 5): -1.1472

MITI non-linear model prediction (BIOWIN 6): 0.000

Readily biodegradability prediction: no

Interpretation of results:

not readily biodegradable

Conclusions:

Expected as not readily biodegradable.

Executive summary:

The biodegradability potential has been investigated by BIOWIN estimation tool*, which calculates the probability that a chemical under aerobic conditions with mixed cultures of microorganisms will biodegrade rapidly or slowly.

The training set for BIOWIN 1, 2, 3 (ultimate degradation time frame) and 4 (primary degradation timeframe) was based on the overall conclusions of a panel of USEPA experts for rapid or slow environmental degradation and based on various types of degradation information on the training set substances. Nevertheless also the BIOWIN 1, 2 and 3 model has been tested (validated) in literature for its predictability concerning not ready and ready biodegradability.

In general the freely available BIOWIN models may be used when predicting the ready biodegradability of chemicals BIOWIN1, 2, 3, 5 and 6.

 

*Biowin v.4.10 is an application contained in the EpiSuite 4.1, the suite of physical/chemical property and environmental fate estimation programs developed by the EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC).

 

Conclusion

The substance is expected to be not ready biodegradable.

Description of key information

Expected as not readily biodegradable.

Additional information

The substance is a phenylamino anthraquinone derivative dye. The substance is not expected to be ready biodegradable because of its chemical structure and its specific function. Commonly, dyes undergo a primary transformation, i.e. discolouration due to the interrupting the conjugation. Nevertheless, the degradation process involves more steps and take more time.

The QSAR based screening criterion for identifying substances for persistency (P and vP) confirmed that the substance is expected to be not readily biodegradable.