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EC number: 204-024-4 | CAS number: 113-24-6
The read across source substance methyl pyruvate was determined to have a skin sensitising potential in a local lymph node assay (reference 7.4.1 -1). An in silico assessment of the test item did not indicate a skin sensitisation potential (reference 7.4.1 -2). As a worst case, the test item is considered to be a skin sensitiser.
The skin sensitising properties were estimated using Derek Nexus v5.0. No skin sensitising properties were estimated based on the described QSAR method (Derek, 2017).
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.
For the evaluation of the skin sensitisation potential of the test substance a Weight of Evidence approach was used. The skin sensitising potential of the read across source substance methyl pyruvate was determined in a local lymph node assay. Furthermore, an in silico assessment of the test substance was carried out using Derek Nexus v5.0.
LLNA (reference 7.4.1 -1)
A local lymph node assay was performed according to OECD guideline 429 to assess the skin sensitising potential of the source substance methyl pyruvate. The test was performed with four CBA mice per dose group. As vehicle acetone/olive oil (4:1) was used. The mice were treated topically in the dorsum with 25 µL of the test item (1, 2.5, 5 or 10 %.) or the vehicle alone. Treatment was performed daily for 3 consecutive days. 5 days following the initiation of exposure, all mice were injected via the tail vein with 250 µL of phosphate-buffered saline (PBS) containing 20 µCi of tritiated thymidine. Mice were sacrificed 5h later, and the draining lymph nodes excised and pooled for each experimental group. The determined stimulation indices were 1.2 (1 %), 2.3 (2.5 %), 4.7 (5 %) and 8.0 (10 %) and the determined EC3 value was 2.4. Therefore, the test item was determined to have a skin sensitising potential (GHS Category 1B).
In silico assessment (reference 7.4.1 -2)
For in silico assessment, Derek Nexus v5.0 was used. No skin sensitising properties of the test item were estimated. The substance is within the applicability domain of the model. Thus the estimation can be regarded as accurate.
The read across source substance methyl pyruvate was determined to have a skin sensitising potential in a local lymph node assay. An in silico assessment of the test item did not indicate a skin sensitisation potential. As a worst case, the test item is considered to be a skin sensitiser.
Classification, Labeling, and Packaging Regulation (EC) No 1272/2008
The available experimental test data are reliable and suitable for classification purposes under Regulation 1272/2008. Based on this data, the substance is considered to be classified for skin sensitisation (Cat 1B, H317) under Regulation (EC) No 1272/2008, as amended for the tenth time in Regulation (EC) No 2017/776.
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