Magnesium perchlorate

Skin sensitisation

Administrative data

Endpoint:

skin sensitisation, other

Remarks:

in silico, (Q)SAR performed with OECD QSAR Toolbox, Read Across analysis

Type of information:

other: (Q)SAR from supporting substance (structural analogue or surrogate) for which an in vitro result is available

Adequacy of study:

weight of evidence

Study period:

2019-03-29

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification, with an experimental result (as provided by the OECD QSAR Toolbox)

Justification for type of information:

1. SOFTWARE
OECD QSAR Toolbox v4.3.1

2. MODEL (incl. version number)
Read Across analysis

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
[Mg+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to 'Attached justification'

5. APPLICABILITY DOMAIN
Please refer to 'Attached justification'

Data source

Reference

Reference Type:

other: estimation software

Title:

Unnamed

Year:

2019

Materials and methods

Test guideline

Guideline:

other: ECHA Guidance R.6

Principles of method if other than guideline:

- Software tool(s) used including version: OECD QSAR Toolbox v4.3.1
- Model(s) used: Read Across analysis
- Model description: see field 'Justification for non-standard information' and 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information' and 'Attached justification'

GLP compliance:

no

Remarks:

Not applicable (QSAR calculation)

Type of study:

direct peptide reactivity assay (DPRA)

Test material

Test material information

Constituent 1

Reference substance name:

Magnesium perchlorate

EC Number:

233-108-3

EC Name:

Magnesium perchlorate

Cas Number:

10034-81-8

Molecular formula:

ClHO4.1/2Mg

IUPAC Name:

magnesium perchlorate

Specific details on test material used for the study:

[Mg+2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Results and discussion

In vitro / in chemico

Results

Value:

0.43

Vehicle controls validity:

not applicable

Negative controls validity:

not applicable

Positive controls validity:

not applicable

Remarks on result:

other: no indication of skin sensitisation based on QSAR prediction and the existing negative sensitisation result on the closely related substance with CAS 7791-03-9

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Conclusions:

Skin sensitisation (DPRA) of Magnesium perchlorate was predicted with OECD QSAR Toolbox v4.3.1 using experimental results of the analogue Lithium perchlorate (CAS 7791-03-9). Since the perchlorate is considered to trigger the toxicity, this approach is justified. Based on the obtained results Magnesium perchlorate is not skin sensitising.

Predictions by the OECD QSAR Toolbox v4.3.1 with experimental result(s) of the closely related perchlorate with CAS 7791-03-9 contained therein are used to address the endpoint, which is considered entirely appropriate for the assessment of the skin sensitisation potential of Magnesium perchlorate.

Executive summary:

Skin sensitisation (DPRA) of Magnesium perchlorate was predicted by read-across analysis using the analogue Lithium perchlorate (CAS 7791-03-9). Data usage was filtered by using the minimal value, since the higher value was the result of the positive control and not of the test item. Since the perchlorate is considered to trigger the toxicity this approach is justified. Based on the obtained results Magnesium perchlorate is not skin sensitising.

Predictions by the OECD QSAR Toolbox v4.3.1 with experimental result(s) of the closely related perchlorate with CAS 7791-03-9 contained therein are used to address the endpoint, which is considered entirely appropriate for the assessment of the skin sensitisation potential of Magnesium perchlorate.