Registration Dossier
Registration Dossier
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EC number: 220-115-1 | CAS number: 2631-68-7
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- No data
- 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 limited documentation / justification
- Justification for type of information:
- Annex III inventory from ECHA
Ready biodegradability model (IRFMN) in VEGA (Q)SAR platform - Qualifier:
- no guideline available
- Principles of method if other than guideline:
- QSAR prediction
- GLP compliance:
- no
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Suspected persistent in the environment: Ready biodegradability model (IRFMN) in VEGA (Q)SAR platform predicts that the chemical is NON Readily Biodegradable (good reliability)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2022
- 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
DANISH QSAR
2. MODEL (incl. version number)
EPI BIOWIN and DTU-developed models
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES (used for QSAR prediction): c1(Cl)c(N(=O)=O)c(Cl)c(N(=O)=O)c(Cl)c1N(=O)=O - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR prediction using BIOWIN models
- GLP compliance:
- no
- Key result
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
Referenceopen allclose all
Biodegradation
Biowin1 (linear model) Probability of Rapid Biodegradation | -0.8655 |
Biowin2 (non-linear model) Probability of Rapid Biodegradation | 0 |
Biowin3 Expert Survey Ultimate Biodegradation | 1.3713 |
Biowin3 Expert Survey Ultimate Timeframe | recalcitrant |
Biowin4 Expert Survey Primary Biodegradation | 2.57 |
Biowin4 Exp. Survey Primary Timeframe | weeks-months |
Biowin5 (MITI linear model) Biodegradation Probability | -0.7735 |
Biowin6 (MITI non-linear model) Biodegradation Probability | 0 |
Biowin7 (Anaerobic Linear) Biodegradation Probability | -1.0129 |
Petroleum Hydrocarbon Biodegradation Half-Life (days) |
|
EPI BIOWIN models | |
SkinBiowin1 and Biowin2: ≥0.5: “Rapid” <0.5: “Slow” Biowin3 and Biowin4: 5 ~ hours; 4 ~ days; 3 ~ weeks; 2 ~ months; 1 ~ years. Biowin5 and Biowin6: ≥0.5: “Readily”, <0.5: “Not readily”. Biowin7: ≥0.5: “Fast”, <0.5: “Slow” | |
| Exp | Battery | CASE Ultra | Leadscope | SciQSAR |
Not Ready Biodegradability (POS=Not Ready) |
| POS_IN | POS_IN | POS_IN | POS_IN |
DTU-developed models | |||||
Description of key information
The registered substance is predicted as not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- not biodegradable
- Type of water:
- freshwater
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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