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Ecotoxicological information

Toxicity to aquatic algae and cyanobacteria

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Reference
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):
Pseudokirchneriella subcapitata (previous names: Raphidocelis 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

QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a EC50 (PseudoKirchneriealla Subcapitata) = 5.25 mg/L

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

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