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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

Experimental data on mutagenicity are available for KLOB-010; nevertheless a deepening for this property has been performed.

 

Link to relevant study records
Reference
Endpoint:
genetic toxicity in vitro, other
Remarks:
VEGA QSAR
Type of information:
(Q)SAR
Adequacy of study:
other information
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
Qualifier:
according to guideline
Guideline:
other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
Version / remarks:
May 2008
Deviations:
not applicable

EXPERIMENTAL DATA

Experimental value is Mutagen. Model prediction is Mutagen (good reliability).

Compound SMILES: O=C(OC)C(CCl)Cl

Experimental value: Mutagen

Predicted Mutagen activity: Mutagen

Molecules used for prediction: 1

Reliability: the predicted compound is into the Applicability Domain of the model

Remarks: none

Conclusions:
KLOB-010 is considered as “Mutagen”, nevertheless it was not possible collecting the primary reference.
Executive summary:

KLOB-010 is considered as “Mutagen”.

Endpoint conclusion
Endpoint conclusion:
no study available

Genetic toxicity in vivo

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

Justification for classification or non-classification

Experimental data on mutagenicity are available:

- Ames test (five Salmonella Typhimurium strains): positive with and without metabolic activation;

- Micronucleus Test: negative.

The following deepening for this property has been performed:

- Classification provided by companies to ECHA in CLP notifications this substance is suspected of causing genetic defects;

- Experimental data on mutagenicity is available in the Vega model and the substance is considered as “Mutagen”, nevertheless it was not possible collecting the primary reference;

- KLOB-010 is predicted as suspected mutagen by the Toolbox profiler (i) in vitro mutagenicity (Ames test) alerts by ISS and (ii) in vivo mutagenicity (Micronucleus) alerts by ISS give an alert for mutagenicity (Aliphatic halogen).

 

The others predictions on mutagenicity obtained by Vega and Danish EPA models are not reliable.

 

In general, the genotoxic potential is dependent on the nature, number, and position of halogen(s) and the molecular size of the compound. Moreover, biotransformation (Cytochrome P450 oxidation, glutathione (GSH) conjugation) may also play an important role in their toxicity.

 

Overall, available data are inconclusive for the classification of the substance.