Registration Dossier
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EC number: 203-430-9 | CAS number: 106-75-2
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
From the water surface, the hydrolysis product diethylene glycol will not evaporate into the atmosphere.
Key value for chemical safety assessment
Additional information
QSAR-disclaimer
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of oxydiethylene bis(chloroformate) (CAS 106 -75 -2, DIBIS) and its metabolite diethylene glycol (CAS 111-46 -6) (Q)SAR results were used for the estimation of the Henry’s Law Constant. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, further experimental studies on the Henry’s Law Constant are not provided.
Assessment
As oxidiethylene bis(chloroformate) (DIBIS, CAS 106-75-2) rapidly hydrolyses in contact with water (see IUCLID Ch. 5.1.2), the analysis of the parent compound is of low relevance. Therefore, the assessment of the volatilization is primarily based on the data for the hydrolysis product diethylene glycol (DEG, CAS 111-46-6). However, for reasons of completeness, the HLC was also calculated for the chloroformate itself.
The calculated HLC of DEG was estimated by the bond method of HENRYWIN v3.20 (EPISuite v 4.11; BASF SE, 2015) to be 2.06E-4 Pa m³/mol. The estimate refers to the uncharged molecule. The substance is within the applicability domain of the model.
The calculated HLC of the parent compound DIBIS was also calculated by the bond estimation method of HENRYWIN v3.20 (EPISuite v 4.11; BASF SE, 2018) to be 0.157 Pa m³/mol. The estimate refers to the uncharged molecule. The substance is within the applicability domain of the model.
Based on the estimated HLC values for the chloroformate as well as its hydrolysis product, the substance will not evaporate into the atmosphere from the water surface.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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