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EC number: 212-611-1 | CAS number: 831-82-3
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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 and Model
OECD QSAR ToolBox 4.2
2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : O(c(ccc(O)c1)c1)c(cccc2)c2
NAME : Phenol, 4-phenoxy-
CAS Number : 831-82-3
3. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL AND APPLCABILITY DOMAIN
See https://www.qsartoolbox.org/
4. ADEQUACY OF THE RESULT
The predicted value is a LC50 value that can be used directly on the CLP criterias. - Guideline:
- other: REACH guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: QSAR Toolbox 4.2
- Model description: see field 'Justification for type of information"
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES : O(c(ccc(O)c1)c1)c(cccc2)c2
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- ca. 5.25 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: QSAR predicted value
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 1.01 - < 27.2 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a EC50 (PseudoKirchneriealla Subcapitata) = 5.25 mg/L
- Executive summary:
QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a EC50 (PseudoKirchneriealla Subcapitata) = 5.25 mg/L
Reference
QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a EC50 (PseudoKirchneriealla Subcapitata) = 5.25 mg/L
Description of key information
QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a EC50 (PseudoKirchneriealla Subcapitata) = 5.25 mg/L [1.01 - 27.2]
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 5.25 mg/L
Additional information
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