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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

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Administrative data

Link to relevant study record(s)

Reference
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 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

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL AND APPLCABILITY DOMAIN
See https://www.qsartoolbox.org/

5. 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):
Daphnia magna
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
ca. 1.83 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
> 0.278 - < 12 mg/L
Nominal / measured:
nominal
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other: QSAR predicted value

QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a LC50 (Daphnie Magna) = 1.83 mg/L

Validity criteria fulfilled:
yes
Conclusions:
QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a LC50 (Daphnie Magna) = 1.83 mg/L.
Executive summary:

QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a LC50 (Daphnie Magna) = 1.83 mg/L

Description of key information

QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a LC50 (Daphnie Magna) = 1.83 mg/L [0.278 - 12]

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates
Effect concentration:
1.83 mg/L

Additional information