potassium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetate;dicalcium

Endpoint summary

Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

KCa2DTPA consists of Potassium, Calcium and DTPA. K and Ca are inorganics are very common in nature and the human body and are not considered mutagenic.

DTPA is classified as non-mutagenic on the ECHA dissemination website. To support this, a published negative Ames test for EDTA (closely related to DTPA) and QSAR results for DTPA are provided that predict negative outcomes of the Ames test with sufficient reliability.

In summary, none of the constituents of KCa2DTPA are considered as mutagenics and it is therefore concluded that KCa2DTPA should not be classified for genetic toxicity.

Link to relevant study records

Reference

Endpoint:

in vitro gene mutation study in bacteria

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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:

1. SOFTWARE
VEGA v1.4.4

2. MODEL (incl. version number)
Mutagenicity (Ames test) model (CONSENSUS) 1.0.2.

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
DTPA = C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)OC(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
See attached QMRF

5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
See attached QMRF

6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]
An in-vitro gene mutation study in bacteria is required for REACH dossiers in the 1-10 tonnage band. This QSAR provides a prediciton for this endpoint.

Guideline:

other: REACH Guidance on QSARs R.6

Specific details on test material used for the study:

SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Remarks on result:

no mutagenic potential (based on QSAR/QSPR prediction)

Conclusions:

Based on the CAESAR model for Mutagenicity (Ames test) v2.1.13, DTPA is non-mutagenic.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (negative)