Hexahydromethylphthalic anhydride

Long-term toxicity to fish

Link to relevant study record(s)

Reference

Endpoint:

long-term toxicity to fish, other

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2022

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:

Please refer to attached QMRF and QPRF Documents.

Qualifier:

according to guideline

Guideline:

other: REACH guidance on QSAR R.6

Principles of method if other than guideline:

Calculation of Long-Term toxicity in fish. Software used: ECOSAR 2.0 for chemical class "Neutral Organic SAR (Baseline Toxicity)"

Specific details on test material used for the study:

3-MHHPA: SMILES: CC1CCCC2C1C(=O)OC2=O
4-MHHPA: SMILES: CC1CCC2C(C(OC2=O)=O)C1
3-MHHPAc: SMILES: O=C(C1C(CCCC1C)C(O)=O)O
4-MHHPAc: SMILES: O=C(C(C1)C(CCC1C)C(O)=O)O

Analytical monitoring:

not required

Test organisms (species):

other: fish

Water media type:

freshwater

Total exposure duration:

30 d

Remarks on exposure duration:

chronic exposure

Duration:

30 d

Effect conc.:

4.25 mg/L

Remarks on result:

ChV (chronic value, QSAR)

Remarks:

The substance is within the applicability domain of the model. ECOSAR class "Neutral Organic SAR (Baseline Toxicity)". 3-MHHPA

Duration:

30 d

Effect conc.:

4.25 mg/L

Remarks on result:

ChV (chronic value, QSAR)

Remarks:

The substance is within the applicability domain of the model. ECOSAR class "Neutral Organic SAR (Baseline Toxicity)". 4-MHHPA

Duration:

30 d

Effect conc.:

515.41 mg/L

Remarks on result:

ChV (chronic value, QSAR)

Remarks:

The substance is within the applicability domain of the model. ECOSAR class "Neutral Organic SAR (Baseline Toxicity)". 3-MHHPAc

Duration:

30 d

Effect conc.:

515.41 mg/L

Remarks on result:

ChV (chronic value, QSAR)

Remarks:

The substance is within the applicability domain of the model. ECOSAR class "Neutral Organic SAR (Baseline Toxicity)". 4-MHHPAc

Validity criteria fulfilled:

yes

Conclusions:

Using ECOSAR v2.0 the long-term toxicity ChV value for fish was calculated for the main consitutents of the multi-constituent substance to be 4.25 mg/L. The substance is within the applicability domain of the model. Because the test item hydrolyses fast to the acid form, the long-term toxicity ChV value for fish was also calculated for the acid forms to be 515.41 mg/L.

Executive summary:

The long-term toxicity in fish was calculated using ECOSAR v2.0 from US Environmental Protection Agency.

 

The adequacy of a prediction depends on the following conditions:

a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;

b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;

c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;

d) the (Q)SAR model is relevant for the regulatory purpose.

 

For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.

 

Description of the prediction Model

The prediction model was descriped using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file. 

 

Assessment of estimation domain

The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.

Description of key information

The lowest value for the long-term toxicity ChV value for fish was calculated to be 4.25 mg/L.

Additional information

Using ECOSAR v2.0 the long-term toxicity ChV value for fish was calculated for the main consitutents of the multi-constituent substance to be 4.25 mg/L. The substance is within the applicability domain of the model. Because the test item hydrolyses fast to the acid form, the long-term toxicity ChV value for fish was also calculated for the acid forms to be 515.41 mg/L.