Tetrabromophthalic anhydride

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

Study period:

May 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Estimated using method recommended by REACH Guidance e.g. EPI v3.20.

Justification for type of information:

1. SOFTWARE
Episuite v3.20
2. MODEL (incl. version number)
Biowin v4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES CODE: O=C(OC(=O)c1c(c(c(c2Br)Br)Br)Br)c12
CAS No: 632-79-1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The BIOWIN model is regarded as an industry standard QSAR for the assessment of ready biodegradability and is published by a national regualtory authority.
- Defined endpoint: Ready Biodegradability
- Unambiguous algorithm:
Ready Biodegradability Prediction: (YES or NO)
The criteria for the YES or NO prediction are as follows: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. days, days to weeks, or weeks) AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable).
This method is based on the application of Bayesian analysis to ready biodegradation data for US Premanufacture Notification (PMN) chemicals, derived collectively from all six OECD301 test methods plus OECD310. The approach is fully described in Boethling et al. (2004).
The linear and nonlinear MITI models (Biowin5 and 6) also predict ready biodegradability, but for degradation in the OECD301C test only, and based exclusively on data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database (http://www.cerij.or.jp/ceri_en/otoiawase/otoiawase_menu.html).
For further details please refer to the user manual included with the software.

- Defined domain of applicability:
Several models exist within the BioWin software. Domains of applicability specific to each model can be referenced in full from the user manual accessible within the software.
- Appropriate measures of goodness-of-fit and robustness and predictivity:
Several models exist within the BioWin software; each is considered to have an accuracy rating of at least 70%.

5. APPLICABILITY DOMAIN
The structure of the substance falls within the structural domain of the software fragment models in that the structure of the substance can be wholly defined as a series of fragments within the models.
6. ADEQUACY OF THE RESULT
The result of the prediction is considered adequate for the purposes of hazard and risk assessment and also classification and labelling. There is a high degree of confidence in the applicability and accuracy of the model and the result of the prediction indicates a “worst case” result for this end point meaning that assessments of the properties of the substance will follow the precautionary principle.

Principles of method if other than guideline:

Prediction of ready biodegradation by BIOWIN v4.10, a module in EPI v3.20. Model uses molecular fragments to predict biodegradation potential. Prediction based on chemical structure.

GLP compliance:

no

Oxygen conditions:

other: not applicable

Inoculum or test system:

other: not applicable

Duration of test (contact time):

28 d

Key result

Parameter:

probability of ready biodegradability (QSAR/QSPR)

Remarks on result:

not readily biodegradable based on QSAR/QSPR prediction

Details on results:

see below

see below

Validity criteria fulfilled:

not applicable

Interpretation of results:

other: Prediction: does not biodegrade readily

Conclusions:

TBPA is not expected to be readily biodegradable. This prediction is consistent with the lack of evidence for biodegradation seen in a soil study. TBPA is expected to undergo rapid hydrolysis to TBPA-acid, which is not expected to be readily biodegradable..

Executive summary:

TBPA is not expected to be readily biodegradable. This prediction is consistent with the lack of evidence for biodegradation seen in a soil study. TBPA is expected to undergo eventual hydrolysis to TBPA-acid, which is not expected to be readily biodegradable.

Description of key information

TBPA is not expected to be readily biodegradable. This prediction is consistent with the lack of evidence for biodegradation seen in a soil study. TBPA is expected to undergo rapid hydrolysis to TBPA-acid, which is not expected to be readily biodegradable..

Key value for chemical safety assessment

Biodegradation in water:

readily biodegradable

Type of water:

freshwater