Magnesium perchlorate

Eye irritation

Administrative data

Endpoint:

eye irritation, 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 experimental result is available

Adequacy of study:

key study

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)

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

Results

Irritation parameter:

in vitro irritation score

Value:

47.1

Vehicle controls validity:

not applicable

Negative controls validity:

not applicable

Positive controls validity:

not applicable

Applicant's summary and conclusion

Interpretation of results:

Category 2 (irritating to eyes) based on GHS criteria

Conclusions:

The eye irritating potential 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. The in vitro irritation score was predicted to be 47.1.

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 and eye corrosion/irritation potential of Magnesium perchlorate.

The predicted IVIS value of 47.1 is above the cut-off value of 3 (UN GHS no category) and below the cut-off value of 55 (UN GHS Category 1) as stated in OECD TG 437. Consequently no prediction concerning irritant or severely irritant potential of the test item can be made.
As indicated above this prediction is based on the experimental result for the analogue substance Lithium perchlorate. In comparison closely related perchlorates like Potassium and Ammonium perchlorate are classified as eye irrit. 2, while Sodium perchlorate is not classified as eye irritant at all in accordance with Annex VI of Regulation (EC) No. 1272/2008 (CLP Regulation). In addition Magnesium is known to be non-toxic to human health, while Lithium is classified as corrosive to skin and eye: "causes severe skin burns and eye damage" (Cat. 1B (H314) according to Regulation (EC) No 1272/2008 (CLP) and Corrosive R34 according to Directive 67/548/EEC. Therefore it was considered entirely appropriate to classify Magnesium perchlorate as eye irrit 2 as worst-case assumption.

Executive summary:

Eye irritation 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. The in vitro irritation score was predicted to be 47.1.

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 and eye corrosion/irritation potential of Magnesium perchlorate.