Registration Dossier
Registration Dossier
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EC number: 209-750-5 | CAS number: 592-34-7
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
The hydrolysis product butanol will slowly evaporate into the atmosphere from the water surface.
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 the hydrolysis product butanol (Q)SAR results were used for 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
Butyl chloroformate rapidly hydrolyses in contact with water to form butanol (CAS 71-36-3), hydrogen chloride (CAS 7647-01-0) and carbon dioxide (CAS 124-38-9).
Due to this rapid hydrolysis, the assessment of the adsorption potential of the parent compound is considered to be of low relevance. Therefore, the assessment of the hydrolysis product butanol is assessed. The Henry’s Law Constant of butanol was calculated by the bond estimation method of HENRYWIN v3.20 (EPISuite v 4.11) to be 1.01 Pa m³/mol. The estimation refers to the uncharged molecule. The substance is within the applicability domain of the model.
It can be concluded that the hydrolysis product butanol will slowly evaporate into the atmosphere from the water surface.
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