Registration Dossier

Administrative data

Description of key information

The LD50 for acute oral toxicity was estimated using Toxicity Estimation Software Tool (T.E.S.T.) v4.2.1 from US Environmental Protection Agency.

Using T.E.S.T. v4.2.1 the acute oral LD50 of the test item was estimated to be 2208.74 mg/kg bw.

A study will be performed in accordance with OECD TG 423 in order to determine the acute oral toxicity of the test item. The study was initiated in January 2020 but was not completed by the CRO in due time to complete the registration dossier. The study record will be updated as soon as the results will become available.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
Endpoint:
acute toxicity: oral
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:
Please refer to the QMRF and QPRF files provided under the section attached justification.
Qualifier:
according to
Guideline:
other: Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals
Version / remarks:
Version 1.0 (May 2008)
Deviations:
no
Principles of method if other than guideline:
Estimation of acute oral toxicity using T.E.S.T
GLP compliance:
no
Test type:
other: calculation
Limit test:
no
Specific details on test material used for the study:
SMILES : OCCOCC=C
Species:
rat
Sex:
male/female
Route of administration:
oral: gavage
Vehicle:
unchanged (no vehicle)
Key result
Sex:
male/female
Dose descriptor:
LD50
Effect level:
2 208.74 mg/kg bw
Based on:
test mat.
Remarks on result:
other: QSAR predicted value: The substance is within the applicability domain of the model.
Conclusions:
Using T.E.S.T. v4.2.1 the acute oral LD50 of the test item was estimated to be 2208.74 mg/kg bw in rats. The substance is within the applicability domain of the model.
Executive summary:

The LD50 for acute oral toxicity was estimated using Toxicity Estimation Software Tool (T.E.S.T.) v4.2.1 from US Environmental Protection Agency. Using T.E.S.T. v4.2.1 the acute oral LD50 of the test item was estimated to be 2208.74 mg/kg bw. 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 descripted 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.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
2 208.74 mg/kg bw

Acute toxicity: via inhalation route

Endpoint conclusion
Endpoint conclusion:
no study available

Acute toxicity: via dermal route

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

Justification for classification or non-classification