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EC number: - | CAS number: -
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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
EPI-SUITE EPA USA & ECOSAR
2. MODEL (incl. version number)
EPI-Suite v4.11 & ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Clc1ccc(c(Cl)c1C)C(=O)C(=C\NC2CC2)/C(=O)OCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See QMRF in "Attached justification"
5. APPLICABILITY DOMAIN
See QPRF in "Attached justification"
6. ADEQUACY OF THE RESULT
See QPRF in "Attached justification" - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- The ECOSAR User Manual, ECOSAR. A Computer Program for Estimating the Ecotoxicity of Industrial Chemicals (EPA-748-R-93-002)
Estimating Toxicity of Industrial Chemicals to Aquatic Organisms Using Structure Activity Relationships (EPA-748-R-93-001).
ECOSAR v1.11 Methodology Document.
ECOSAR v1.11 Operation Manual. - Specific details on test material used for the study:
- Clc1ccc(c(Cl)c1C)C(=O)C(=C\NC2CC2)/C(=O)OCC
- Test organisms (species):
- Daphnia sp.
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0.766 mg/L
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR predicted value for Aliphatic Amines
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 8.479 mg/L
- Nominal / measured:
- estimated
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 7.402 mg/L
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR predicted value for Vinyl/Allyl Ketones
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 5.949 mg/L
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR predicted value for Neutral Organic SAR
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The test item has an estimated LC50 of 0.766mg/L based on its aliphatic amines for Daphnids.
- Executive summary:
The short term toxicity to aquatic invertebrates of the test item was estimated using ECOSAR v1.11 in EpiSuite v4.11 which predicted an LC50 of 0.766mg/L for Aliphatic Amines Class, 8.479mg/L for Esters Class, 7.402mg/L for Vinyl/Allyl Ketones Class and 5.949mg/L for Neutral Organic SAR Class for Daphnids.
Reference
| ECOSAR Class | Organism | Duration | End Pt | Predicted mg/L (ppm) |
| Aliphatic Amines | Daphnid | 48-hr | LC50 | 0.766 |
| Esters | Daphnid | 48-hr | LC50 | 8.479 |
| Vinyl/Allyl Ketones | Daphnid | 48-hr | LC50 | 7.402 |
| Neutral Organis Sar (Baseline Toxicity) | Daphnid | 48-hr | LC50 | 5.949 |
Description of key information
Short-term toxicity to aquatic invertebrates: Key Study: QSAR according to REACH Guidance on QSARs R.6, non GLP. The test item has an estimated LC50 of 0.766mg/L based on its aliphatic amines for Daphnids.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Dose descriptor:
- LC50
- Remarks:
- Estimated
- Effect concentration:
- 0.766 mg/L
Additional information
The short term toxicity to aquatic invertebrates of the test item was estimated using ECOSAR v1.11 in EpiSuite v4.11 which predicted an LC50 of 0.766mg/L for Aliphatic Amines Class, 8.479mg/L for Esters Class, 7.402mg/L for Vinyl/Allyl Ketones Class and 5.949mg/L for Neutral Organic SAR Class for Daphnids.
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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