Registration Dossier
Registration Dossier
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EC number: 266-549-5 | CAS number: 67024-46-8
Toxicity to aquatic algae and cyanobacteria
Administrative data
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- January 29th, 2018
- Reliability:
- 1 (reliable without restriction)
- 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
iSafeRat® HA-QSAR toolbox v2.4
2. MODEL (incl. version number)
iSafeRat® holistic HA-QSAR v1.8
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCC(CC)C(=O)OC(C)C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF
5. APPLICABILITY DOMAIN
See attached QPRF
6. ADEQUACY OF THE RESULT
See attached QPRF
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Deviations:
- not applicable
- Remarks:
- QSAR Model
- Principles of method if other than guideline:
- The growth inhibition of algae was determined using validated QSAR model for the Mechanism of Action
(MechoA) in question (MechoA 2.1, i.e. pronarcosis) (4). The QSAR model is based on validated data for a training
set of 44 chemicals derived from 72-hour ErC50 test on algae, for which the concentrations of the test item had been
determined by chemical analyses over the test period. - GLP compliance:
- no
Test material
- Reference substance name:
- Isopropyl 2-ethylhexanoate
- EC Number:
- 266-549-5
- EC Name:
- Isopropyl 2-ethylhexanoate
- Cas Number:
- 67024-46-8
- Molecular formula:
- C11H22O2
- IUPAC Name:
- isopropyl 2-ethylhexanoate
- Test material form:
- liquid
Constituent 1
Sampling and analysis
- Analytical monitoring:
- no
- Remarks:
- QSAR study.
Test solutions
- Vehicle:
- no
Results and discussion
Effect concentrations
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 2.1 mg/L
- Basis for effect:
- growth rate
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- 72h-ErC50 2.1 mg/L, with 95% confidence limits 1.9 – 2.5 mg/L.
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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