Calcium glycerophosphate

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Endpoint:

toxicity to aquatic algae and cyanobacteria

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 4.4.1)
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 ecotoxicity. 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 (EC50, toxicity to algae), 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: trend analysis), subcategorization and prediction.
The application of this methodology permits the ToolBox to estimates the toxicity to aquatic algae 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.
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: toxicity to aquatic algae
- 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: 63,3 mg/L

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.

Guideline:

other: REACH Guidance on QSARs R.6

Specific details on test material used for the study:

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

Key result

Duration:

96 h

Dose descriptor:

EC50

Effect conc.:

63.3 mg/L

Validity criteria fulfilled:

yes

Conclusions:

The result of 63.3 mg/L of Calcium Glycerophosphate is higher than the cut-off value of 1mg/L.

Executive summary:

The result of 63.3 mg/L of Calcium Glycerophosphate is higher than the cut-off value of 1mg/L.

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.

Description of key information

The result of 63.3 mg/L was assessed by QSAR calculation for Calcium Glycerophosphate. This result is higher than the cut-off value of 1mg/L.

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.

Key value for chemical safety assessment

EC50 for freshwater algae:

63.3 mg/L