Sodium 4-hydroxybenzenesulphonate

Short-term toxicity to fish

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to fish

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

15 January, 2021

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: OECD Toolbox

2. MODEL (incl. version number): 4.4.1

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: CAS number 890-25-1 was used.

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The QMRF is attached in the section 13 with the title "Prediction of LC50 for Benzenesulfonic acid, 4-hydroxy-, monosodium salt".

5. APPLICABILITY DOMAIN
The substance was within the applicability domain. For more details, please refer to the QMRF attached in the section 13 with the title "Prediction of LC50 for Benzenesulfonic acid, 4-hydroxy-, monosodium salt".

6. ADEQUACY OF THE RESULT
The prediction supports the conclusion that the substance has a 96h LC50 equal to 28.6 mg/L and thus no classification is required.

Qualifier:

according to guideline

Guideline:

other: REACH guidance on QSARs R.6. May/July 2006

GLP compliance:

no

Remarks:

QSAR, hence not required

Analytical monitoring:

no

Test organisms (species):

Pimephales promelas

Key result

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

28.6 mg/L

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

mortality (fish)

Details on results:

The “Fathead minnow 96h LC50- Danish QSAR DB Leadscope model” estimated the most conservative 96h LC50 to fish as 28.6 mg/L, which is considered as representative of short-term toxicity potential of sodium 4-hydroxybenzenesulfonate to fish.

Conclusions:

The “Fathead minnow 96h LC50- Danish QSAR DB Leadscope model” estimated the most conservative 96h LC50to fish as 28.6 mg/L, which is considered as representative of short-term toxicity potential of sodium 4-hydroxybenzenesulfonate to fish.

Executive summary:

An attempt was made to estimate the LC50 to fish using the OECD Toolbox v 4.4.1. The automatic workflow, the standardized workflow from OECD Toolbox v 4.4.1 were not successful in estimating the 96h LC₅₀forPimephalos promales. Similarly, the use of the standardized workflow for estimation of 96h LC50 for Actinotergii was also not successful. Manual attempts to achieve the prediction were also not useful. Hence, the QSAR models included in the OECD Toolbox v 4.4.1 were run.

The “Fathead minnow 96h LC₅₀ - Danish QSAR DB Leadscope model” estimated the most conservative 96h LC₅₀ to fish as 28.6 mg/L, which is considered as representative of short-term toxicity potential of sodium 4-hydroxybenzenesulfonate to fish.

Description of key information

The 96h LC50 to fathead minnow was predicted to be 28.6 mg/L.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

28.6 mg/L

Additional information

The “Fathead minnow 96h LC₅₀- Danish QSAR DB Leadscope model” from OECD Toolbox v 4.4.1 estimated the most conservative 96h LC₅₀to fish as 28.6 mg/L, which is considered as representative of short-term toxicity potential of sodium 4-hydroxybenzenesulfonate to fish.

In a publication that has been referenced in US EPA ECOTOX - AQUIRE database 96 h (100 h) LC50 for Lepomis macrochirus  (Bluegill) is 19616 mg/L.