potassium titanium oxide (K2Ti6O13)

Toxicity to reproduction: other studies

Administrative data

Endpoint:

toxicity to reproduction: other studies

Remarks:

screening for reproductive / developmental toxicity

Type of information:

(Q)SAR

Adequacy of study:

supporting 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:

A (Q)SAR prediction was performed.

According to Annex VIII section 8.7.1 of the REACH Regulation, a screening for reproductive/developmental toxicity, one species (OECD 421 or 422), if there is no evidence from available information on structurally related substances, from (Q)SAR estimates or from in vitro methods that the substance may be a developmental toxicant.
On the other hand, according to Column 2, this study does not need to be conducted if relevant human exposure can be excluded in accordance with Annex XI section 3.
Annex XI section 3 testing in accordance with Section 8.7 of Annex IX may be omitted, based on the exposure scenario(s) developed in the Chemical Safety Report.

Because of these considerations, (i) a (Q)SAR prediction was performed and (ii) dispiste the substance was judged as not dangerous, the exposure scenario were developed in the Chemical Safety Report and the testing was omitted.

Data source

Reference

Reference Type:

other: (Q)SAR prediction

Title:

(Q)SAR Toolbox 3.4

Year:

2017

Bibliographic source:

ESTROGEN RECEPTOR BINDING

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: Chapter R.6 ECHA Guidance Document

Version / remarks:

2008

Deviations:

no

Principles of method if other than guideline:

(1) Schultz, T.W., Carlson. R.E., Cronin, M.T.D., Hermens, J.L.M., Johnson, R., O'Brien, P.J., Roberts, D.W., Siraki, A., Wallace, K.D. and Veith, G.D. 2006. A conceptual framework for predicting toxicity of reactive chemicals: Models for soft electrophilicity. SAR QSAR in Environmental Research 17: 413-428.

(2) Cronin, M.T.D. and Worth A.P. 2008. (Q)SARs for predicting effects relating to reproductive toxicity. QSAR & Combinational Science 27: 91-100.

(3) Tong, W., Fang, W.D., Hong, H., Xie, Q., Perkins, R. and Sheehan, D.M. 2004. Receptor-mediated toxicity: QSARs for estrogen receptor binding and priority setting of potential estrogenic endocrine disruptors. In: Cronin, M.T.D. and Livingstone D.J. (Eds) Predicting Chemical Toxicity and Fate. CRC Press Boca Raton FL pp.285-314.

(4) Schmieder, P.K., Ankley, G., Mekenyan, O., Walker, J.D., and Bradbury S. 2003. Environmental Toxicology and Chemistry 22: 1844-1854.

GLP compliance:

no

Type of method:

other: (Q)SAR prediction

Remarks:

(Q)SAR prediction

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

432-240-0

EC Name:

-

Cas Number:

12056-51-8

Molecular formula:

K2Ti6O13

IUPAC Name:

Potassium hexatitanate

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Specific details on test material used for the study:

K{+}.O{-}[Ti]{2+}12.O{-}[Ti]{+}3(O{-}.1).O{-}[Ti]{2+}1(.O{-}3).O{-}[Ti]{2+}3(.O{-}1).O{-}[Ti]{2+}1(.O{-}3).O{-}[Ti]{2+}(O{-}.K{+})(.O{-}2).O{-}1
MW: 573

Results and discussion

Effect levels

Dose descriptor:

other: estrogen receptor binding

Remarks on result:

other: a prediction was performed

Remarks:

(Q)SAR prediction (qualitative result)

Any other information on results incl. tables

Non-binder, MW > 500– substances with MW > 500

Applicant's summary and conclusion

Conclusions:

Non-binder, MW > 500 – substances with MW > 500

Executive summary:

A (Q)SAR prediction was performed in order to assess if the substance may be a developmental toxicant.

ESTROGEN RECEPTOR BINDING a model of (Q)SAR Toolbok run and predicted that Non-binder, MW > 500– substances with MW > 500.

So, because of the result obtained from the prediction and considering the exposure scenarios, there is no need to conduct other experimental studies.