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Ecotoxicological information

Short-term toxicity to fish

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Reference
Endpoint:
short-term toxicity to fish
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from Danish (Q)SAR Database.
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
Determination of estimated 96 hrs EC50 value of Sodium phenylacetate on fish by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. It is a continuous (Q)SAR model based on structural features and numeric molecular descriptors.
GLP compliance:
no
Specific details on test material used for the study:
- Name( IUPAC): sodium 2-phenylacetate
- Name of test material (as cited in study report): Sodium phenylacetate
- Molecular formula C8H8O2.Na
- Molecular weight: 158.1313 g/mol
- Smiles notation : c1(ccccc1)CC(=O)[O-].[Na+]
- InChl: 1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
- Substance type: Organic
- Physical state: solid
Analytical monitoring:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fathead minnow
Test type:
not specified
Water media type:
not specified
Limit test:
no
Total exposure duration:
96 h
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
305.88
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: not toxic
Conclusions:
The estimated 96 hrs EC50 value of Sodium phenylacetate on Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is 305.88 mg/L. It can be concluded from the estimated value that the Sodium phenylacetate is not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.
Executive summary:

The estimated 96 hrs EC50 value ofSodium phenylacetateon Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is305.88mg/L. It can be concluded from the estimated value that theSodium phenylacetateis not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.

Description of key information

The estimated 96 hrs EC50 value ofSodium phenylacetateon Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is305.88 mg/L. It can be concluded from the estimated value that the Sodium phenylacetate is not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Effect concentration:
305.88 mg/L

Additional information

Following studies includes the predicted study of target chemical to conclude the Sodium phenylacetate (CAS: 114 -70 -5) toxicity towards the fish is summarized as below;

The estimated 96 hrs EC50 value of Sodium phenylacetateon Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is 305.88 mg/L. It can be concluded from the estimated value that theSodium phenylacetateis not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.

The above study is supported by the similar predicted study from EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to fish was predicted to be 3647.34 mg/l for Sodium phenylacetate in 96 hrs. Based on the LC50 value, it can be concluded that the substance Sodium phenylacetate is not toxic to aquatic environment.

Another study from EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to fish was predicted to be 4576.04 mg/l for Sodium phenylacetate in 96 hrs. Based on the LC50 value, it can be concluded that the substance Sodium phenylacetate is not toxic to aquatic environment.

Thus based on the effect concentrations which is in the range 305.88 mg/l to4576.04 mg/lgive the conclusion that test substanceSodium phenylacetate (CAS: 114 -70 -5)is likely to be non-toxic to aquatic fish at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not classified” as per the CLP classification criteria.