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Environmental fate & pathways

Biodegradation in water: screening tests

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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:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
BIOWIN (EPISuite v4.11)

2. MODEL (incl. version number)
BIOWIN v4.10

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
OC1=CC=C(CCC(C)C(C)C(C)CC)C=C1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached QMRF report.

5. APPLICABILITY DOMAIN
Please refer to the attached QMRF report.

6. ADEQUACY OF THE RESULT
Please refer to the attached QPRF.
Guideline:
other: REACH Guidance on QSARs R.6
Version / remarks:
2008
Principles of method if other than guideline:
BIOWIN v.4.10 (EPISuite) for Biodegradation
GLP compliance:
no
Specific details on test material used for the study:
Smiles notation: OC1=CC=C(CCC(C)C(C)C(C)CC)C=C1
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction

BIOWIN v4.10 Results

Biowin1 (Linear Model Prediction): Biodegrades Fast (0.8064)

Biowin2 (Non-Linear Model Prediction): Biodegrades Fast (0.7624)

Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months (2.6627)

Biowin4 (Primary Biodegradation Timeframe): Days-Weeks (3.4807)

Biowin5 (MITI Linear Model Prediction): Not Readily Degradable (0.0047)

Biowin6 (MITI Non-Linear Model Prediction): Not Readily Degradable (0.0596)

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrades Fast (-0.3506)

Ready Biodegradability Prediction: NO

Interpretation of results:
not readily biodegradable
Conclusions:
Based on the outcome of the model, phenol, dodecyl-, branched may be considered as not readily biodegradable. Phenol, dodecyl-, branched is within the applicability domain of BIOWIN v.4.10. The prediction is reliable and addresses the information requirement of Regulation (EC) No 1907/2006 (REACH) Annex VII section 9.2.1.1.

Description of key information

Based on a reliable QSAR prediction with BIOWIN (v4.10), phenol, dodecyl-, branched may not be considered as readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information