Registration Dossier
Registration Dossier
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EC number: 640-188-7 | CAS number: 903550-26-5
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2015
Materials and methods
- Principles of method if other than guideline:
- The acute toxicity on Daphnia was estimated by using ACD/Percepta, ECOSAR and Vega predictor.
- GLP compliance:
- no
Test material
- Reference substance name:
- 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- EC Number:
- 640-188-7
- Cas Number:
- 903550-26-5
- Molecular formula:
- C14H23BN2O3
- IUPAC Name:
- 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Constituent 1
Test organisms
- Test organisms (species):
- Daphnia magna
Results and discussion
Effect concentrations
- Dose descriptor:
- LC50
- Effect conc.:
- 7.81 mg/L
- Remarks on result:
- other: Consensus (moderate reliable)
Any other information on results incl. tables
| ACD/PerceptaLC50 (mg/L) | ECOSARLC50 (mg/L) | Consensus predictionLC50 (mg/L) |
| 3.30 (not reliable) | 7.81 (Moderate Reliable) | 7.81 (Moderate Reliable) |
ECOSAR
Name |
ECOSAR Class |
ECOSAR (Daphnia 48 hr) LC50 (mg/L) |
LogKow* |
Applicability domain |
Reliability assessment |
1-(tetrahydro-2H-pyran-2-yl)- 5-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-1H-pyrazole |
Pyrazoles/Pyrroles |
7.81 |
1.89 |
MW range: 126-360 max LogKow = 5.0 |
MODERATE RELIABLE |
ECOSAR assignedthe target chemical 1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole to the class of Pyrazoles/Pyrroles. Based on the Pyrazoles/Pyrroles QSAR equation, ECOSAR predicted for the 1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole compound an acuteLC50to Daphnia equal to 7.81mg/L.Based onMW range and logKow cut-off, it was assumed that 1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolefallsinside the applicability domain of the model.
Applicant's summary and conclusion
- Conclusions:
- ACD/Percepta prediction was assessed as not reliable, while ECOSAR prediction was considered moderate reliable. Thus, based on ECOSAR prediction, an acute 48-h LC50 in Daphnia equal to 7.81 mg/L was estimated for 1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole and the prediction was assessed as moderate reliable.
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