Sodium phenylacetate

Short-term toxicity to fish

Link to relevant study record(s)

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.