Registration Dossier
Registration Dossier
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EC number: 205-377-7 | CAS number: 139-85-5
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:
- See attached the QMRF and QPRF for the QSAR model.
See also attached the chemical class information document. - 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 Indust
rial Chemicals (EPA-748-R-93-002)
Estimating Toxicity of Industrial Chemicals to Aquatic Organisms Using Structure Activity Relationshi
ps (EPA-748-R-93-001).
ECOSAR v1.11 Methodology Document.
ECOSAR v1.11 Operation Manual. - Specific details on test material used for the study:
- SMILES: C1=CC(=C(C=C1C=O)O)O
- Test organisms (species):
- Daphnia sp.
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 107.261
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR predicted value (Aldehydes)
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 529.295
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR phenols predicted value
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The daphnia 48-h LC50 for the test substance was predicted to be 107.261 mg/L (EPI-Suite, ECOSAR
v1.11, lower value between class-specific (amides-acid) and neutral organic SAR estimations).
Reference
ECOSAR v1.11 predicted that the test substance has a 48 h-LC50 to daphnia of 107.261 mg/L based
on aldehydes and 529.295 mg/L based on phenols.
Description of key information
Key Study: Data from EPI-Suite, EPA (USA) / ECOSAR v1.11. The daphnia 48-h LC50 for the test substance was predicted to be 107.261 mg/L based on aldehydes and 529.295 mg/L based on phenols
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Dose descriptor:
- LC50
- Effect concentration:
- 529.295 mg/L
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
