Methyl 2,3-dichloropropionate

Endpoint summary

Description of key information

Experimental data on the potential of skin sensitisation are not available for the substance.

As a result of an overall assessment of the QSAR predictions (detailed in Table below) the substance can not be classified for skin sensitisation.

Predicted data are inconclusive for the classification of the substance as skin sensitizer since all the results obtained by qualitative models are not reliable; moreover, not all models identify one structural alert (e.g. Protein binding potency, Protein binding alerts for skin sensitization according to GHS).

	Name of the software	Model/module	Model type	Result
Skin sensitization	QSAR Toolbox	Proteing binding profilers OASIS	Structural alerts	SN2   Profile responsible for interaction with proteins and especially with skin proteins
		Proteing binding profilers OECD	Structural alerts	SN2   1,2-dihaloalkanes undergo an initial attack by glutathione followed by internal cyclisation resulting in the formation of a reactive episulfonium ion
		Proteing binding potency	Structural alerts	Not possible to classify according to these rules (GSH)
		Protein binding alerts for skin sensitization by OASIS	Structural alerts	SN2 α-Activated haloalkanes. The chemicals are strong sensitizers as a result of Nucleophilic substitution on halogenated Csp3-atom. This profiler is to investigate the presence of alerts within the target molecules responsible for interaction with proteins and especially with skin proteins.
		Protein binding alerts for skin sensitization according to GHS	Structural alerts	No alert found
	ToxTree	Skin sensitisation reactivity domains	Structural alerts	Alert for SN2 identified
	VEGA	Skin sensitisation CAESAR	Qualitative   Skin sensitisation model in VEGA: aggregated data from Gebericket al.(2005) (extreme, strong and weak sensitisers coded as positive, NC as negative)	Prediction non-reliable, the predicted compound is outside the Applicability Domain of the model
	Danish (Q)SAR database	Skin sensitisation (CASE Ultra, Leadscope and SciQSAR)	Qualitative   Several factors were considered in the activity classification including: the type of assay used, i.e. human or guinea pig maximization test; use of adjuvant; dose used for challenge; and the sensitisation rate. Weak, moderate, strong and extreme sensitizers were included in the model training set as positive and non-sensitizers were included as negative.	Prediction non-reliable. The predicted compound is outside the Applicability Domain of all models as shown below:   Battery NEG_OUT CASE Ultra POS_OUT Leadscope INC_OUT SciQSAR NEG_IN   Only one it is inside applicability domain.
Abbreviations INC: inconclusive. A definite call within the defined applicability domain could not be made. NEG: negative POS: positive IN: inside applicability domain OUT: outside applicability domain

Key value for chemical safety assessment

Skin sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

Experimental data on the potential of skin sensitisation are not available for the substance.

As a result of an overall assessment of the QSAR predictions (detailed in Table above) the substance can not be classified for skin sensitisation.

Predicted data are inconclusive for the classification of the substance as skin sensitizer since all the results obtained by qualitative models are not reliable; moreover, not all models identify one structural alert (e.g. Protein binding potency, Protein binding alerts for skin sensitization according to GHS).

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

Additional labelling requirements

KLOB-010 contains as impurity the substance methyl acrylate (EC 202-500-6 - CAS 96-33-3) at 0.3 %.

According to the harmonised classification and labelling (CLH) approved by the European Union, this substance is a highly flammable liquid and vapour, is harmful if swallowed, is harmful in contact with skin, causes serious eye irritation, is harmful if inhaled, causes skin irritation, may cause an allergic skin reaction and may cause respiratory irritation. Additionally, the classification provided by companies to ECHA in REACH registrations identifies that this substance is toxic if inhaled and is harmful to aquatic life with long lasting effects.

Beacuse, it is above the concentration limits for elicitation 0.1%, this concentration limit is used for the application of the special labelling requirements of section 2.8 of Annex II to protect already sensitised individuals.

The following statement is required:

- EUH208 - Contains (Methyl acrylate). May produce an allergic reaction.