Calcium glycerophosphate

Genetic toxicity: in vivo

Administrative data

Endpoint:

in vivo mammalian somatic cell study: cytogenicity / erythrocyte micronucleus

Type of information:

(Q)SAR

Adequacy of study:

key study

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:

QSAR INFORMATIONS: Quantitative Structure Activity Relationships (QSAR) are theoretical models that can be used to predict in a qualitative or quantitative manner the physico-chemical, toxicological, ecotoxicological and environmental fate properties of compounds from a knowledge of their chemical structure.
1. SOFTWARE: OECD QSAR ToolBox

2. MODEL (incl. version number) : OECD QSAR ToolBox (version 4.2)
Principle of method used:
The OECD QSAR ToolBox is a prediction tool for health and environmental toxicity. It was developed and recommended by OECD and ECHA. The tool allows the prediction of toxicity. It is based on available data provided and compiled by OECD and ECHA.
The prediction using the OECD QSAR ToolBox follow the following steps : Selection of the targeted substance, defining the endpoint of interest (Gene mutation - Chromosome aberration), profiling considering the endpoint of interest, category definition, filling information (based on the available data in the OECD QSAR ToolBox database, gap filling approach used: read-across), subcategorization and prediction.
The application of this methodology permits the ToolBox to estimates the gene mutation based on the available information in the OECD and ECHA database implemented in the tool.

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS Number : 27214-00-2

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
No formal QMRF assessment of the model is currently available, however, the user's guide and the ECHA technical guidance describes all the information.
According to the ECHA Guidance R.7.7.4.1 “if well-documented and applicable (Q)SAR data are available, they should be used to help reach the decision points […]. In many cases the accuracy of such methods will be sufficient to help, or allow either a testing or a specific regulatory decision to be made.”
Conditions described in the ECHA Guidance R6.1.3 are met for making the QSAR results acceptable alternative to experimental data. Conditions detailed in QPRF document.
- Defined endpoint: Gene mutation - Chromosome aberration - Micronucleus Assay
- Unambiguous algorithm: Defined by OECD and publicly available. - Defined domain of applicability: available in the detailed prediction report - Interpretation: According to the ToolBox, the result is directly expressed as following: negative

5. APPLICABILITY DOMAIN
The selection of parameters and categorisations when using OECD QSAR ToolBox allow the selection of relevant analogue for deriving relevant result. All information used for prediction is detailed in the prediction report.

6. ADEQUACY OF THE RESULT
The prediction using the OECD QSAR ToolBox provide result allowing classification and use under risk assessment. Therefore it fit with the purpose of this REACH registration dossier.

Data source

Reference

Reference Type:

other: QSAR Model

Title:

OECD QSAR ToolBox (version 4.4.1)

Year:

2020

Bibliographic source:

OECD QSAR ToolBox (version 4.4.1)

Report date:

2020

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

- Software tool(s) used including version: OECD QSAR ToolBox (version 4.2)

- Principle of method used:
The OECD QSAR ToolBox is a prediction tool for health and environmental toxicity. It was developed and recommended by OECD and ECHA. The tool allows the prediction of toxicity. It is based on available data provided and compiled by OECD and ECHA.
The prediction using the OECD QSAR ToolBox follow the following steps : Selection of the targeted substance, defining the endpoint of interest (Gene mutation - Chromosome aberration), profiling considering the endpoint of interest, category definition, filling information (based on the available data in the OECD QSAR ToolBox database, gap filling approach used: read-across), subcategorization and prediction.
The application of this methodology permits the ToolBox to estimates the gene mutation based on the available information in the OECD and ECHA database implemented in the tool.

- Model description: see field 'Attached justification'

- Justification of QSAR prediction: see field 'Justification for type of information' & 'Attached justification'

Test material

Test material information

Constituent 1

Reference substance name:

Calcium glycerophosphate

EC Number:

248-328-5

EC Name:

Calcium glycerophosphate

Cas Number:

27214-00-2

Molecular formula:

C3H9O6P.Ca

IUPAC Name:

calcium glycerophosphate

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

CAS: 27214-00-2
SMILES: [Ca+2].OCC(O)COP([O-])([O-])=O

Results and discussion

Test results

Key result

Sex:

male/female

Genotoxicity:

negative

Toxicity:

not examined

Applicant's summary and conclusion

Conclusions:

Result is negative.

Executive summary:

QSAR was made on micronucleus essay in vivo for Calcium Glycerophosphate and the result is negative.

Consequently, according to this result Calcium Glycerophosphate does not have to be classified in accordance with the Regulation EC No. 1272/2008 on classification and packaging of substances and mixtures.

No signal word or hazard statement is required.