Magnesium perchlorate

Endpoint summary

Description of key information

- in vivo LLNA: not sensitising (prediction by OECD QSAR Toolbox v4.3.1, 2019; based on experimental result (OECD TG 429, GLP) of the closely related analogue Sodium perchlorate)

- in vitro DPRA: not sensitising (prediction by OECD QSAR Toolbox v4.3.1, 2019; based on experimental result (OECD TG 442C, GLP) of the closely related analogue Sodium perchlorate)

- in vitro keratinocyte gene expression: not sensitising (prediction by OECD QSAR Toolbox v4.3.1, 2019; based on experimental result (OECD TG 442D, GLP) of the closely related analogue Sodium perchlorate)

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Reference 1

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'

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)

Specific details on test material used for the study:

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

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

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.

Reference 2

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'

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:

activation of keratinocytes

Specific details on test material used for the study:

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

Value:

1

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

Interpretation of results:

GHS criteria not met

Conclusions:

Skin sensitisation (activation of keratinocytes) 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 (activation of keratinocytes) 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.

Reference 3

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 vivo 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

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:

other: QSAR, LLNA estimation

Specific details on test material used for the study:

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

Species:

mouse

Strain:

not specified

Sex:

not specified

Remarks on result:

no indication of skin sensitisation

Remarks on result:

no indication of skin sensitisation based on QSAR/QSPR prediction

Remarks:

no indication of skin sensitisation (EC3 determination) based on QSAR prediction and the existing negative sensitisation result on the closely analogue substance Sodium perchlorate (CAS 7601-89-0)

Interpretation of results:

GHS criteria not met

Conclusions:

Skin sensitisation (LLNA) of Magnesium perchlorate was predicted with OECD QSAR Toolbox v4.3.1 using experimental results of the analogue Sodium perchlorate (CAS 7601-89-0). Since the perchlorate is considered to trigger the toxicity this read-across 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 7601-89-0 contained therein are used to address the endpoint, which is considered entirely appropriate for the assessment of the skin sensitising potential of Magnesium perchlorate.

Executive summary:

Skin sensitisation (LLNA) of magnesium perchlorate was calculated with OECD QSAR Toolbox v4.3.1 by read-across analysis using the analogue Sodium perchlorate (CAS 7601-89-0). Since the perchlorate is considered to trigger the toxicity this read-across approach is justified. Accordingly, 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 7601-89-0 contained therein are used to address the endpoint, which is considered entirely appropriate for the assessment of the skin sensitising potential of Magnesium perchlorate.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)

Additional information:

The skin sensitisation of Magnesium perchlorate was predicted with OECD QSAR Toolbox v4.3.1 using experimental results of the closely analogue substance Sodium perchlorate (CAS 7601-89-0). This analogue substance was tested for skin sensitisation in vivo according to OECD TG 429 (LLNA) and in vitro according to OECD TG 442C (DPRA) and 442D (keratinocyte gene expression) under GLP, respectively. Since the perchlorate is considered to trigger the toxicity, this approach is justified and considered as entirely appropriate to draw conclusions on the skin sensitisation of Magnesium perchlorate. However, the registrant is prepared to conduct an experimental study but considered it as not necessary at first instance taking into account the available results.

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

Magnesium perchlorate was predicted to be not senistising by OECD QSAR Toolbox v4.3.1, based on in vivo (LLNA) and in vitro results (DPRA, keratinocyte gene expression) of the closely analogue substance Sodium perchlorate. Hence, Magnesium perchlorate does not meet the CLP classification criteria with respect to skin sensitisation, as set out in Regulation (EC) No. 1272/2008.