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EC number: 204-024-4 | CAS number: 113-24-6
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
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- Auto flammability
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- Oxidation reduction potential
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- Storage stability and reactivity towards container material
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- pH
- Dissociation constant
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- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
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- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
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- Endpoint summary
- Stability
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- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
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- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
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- Additional toxicological data

Endpoint summary
Administrative data
Description of key information
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.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The target substance sodium pyruvate is the sodium salt of pyruvic acid. It is similar to the source substance 3-methyl pyruvate, which is a methyl ester of pyruvic acid. 3-methyl pyruvate (source substance) only differentiates from sodium pyruvate (target substance) by one methyl group instead of a sodium cation. Studies on skin sensitisation were not performed for the target substance sodium pyruvate due to availability of reliable experimental data for 3-methyl pyruvate. Sodium pyruvate is considered to be a suitable read across substance.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The source substance 3-methyl pyruvate, which was used in a skin sensitisation study, had a purity of 99%. No information on impurities is available. The purity of the target substance sodium pyruvate is similar (99 - 100 %).
3. ANALOGUE APPROACH JUSTIFICATION
Experimental data i.e. a skin senstisation study in mice is available for 3-methyl pyruvate. 3-methyl pyruvate was tested in a local lymph node assay according to OECD 429. The study revealed a skin sensitising potential (GHS Category 1B). The information given on 3-methyl pyruvate is considered to be sufficient to cover the required endpoint information for the target substance sodium pyruvate. - Reason / purpose for cross-reference:
- read-across source
- Key result
- Parameter:
- EC3
- Value:
- 2.4
- Parameter:
- SI
- Value:
- 1.2
- Test group / Remarks:
- concentration: 1 %
- Parameter:
- SI
- Value:
- 2.3
- Test group / Remarks:
- concentration: 2.5 %
- Parameter:
- SI
- Value:
- 4.7
- Test group / Remarks:
- concentration: 5 %
- Parameter:
- SI
- Value:
- 8
- Test group / Remarks:
- concentration: 10 %
- Endpoint:
- skin sensitisation, other
- Remarks:
- in silico
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- no guideline available
- Principles of method if other than guideline:
- Estimates the skin sensitising properties of chemicals using structural alert relationships.
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: [Na+].CC(=O)C(=O)[O-]
- Key result
- Parameter:
- other: alerts
- Value:
- 0
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- QSAR predicted value. The substance is within the applicability domain of the model.
- Interpretation of results:
- other: Derek result: No alerts matched.
- Conclusions:
- Using Derek Nexus v5.0, 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.
- Executive summary:
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.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
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.
Conclusion
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.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
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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