Registration Dossier
Registration Dossier
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EC number: 209-750-5 | CAS number: 592-34-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Adsorption to solid soil phase is not
expected.
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 adsorption / desorption. 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 adsorption potential 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. For hydrogen chloride and carbon dioxide no data on adsorption are available. Therefore, the assessment of adsorption potential is based solely on the data available for butanol. For butanol Koc values were calculated to be 10.01 L/kg (log Koc = 1.00) and 3.471 L/kg (log Koc = 0.54) when based on the log Kow method and the MCI method respectively.
In accordance with column 2 of REACH Annexes VIII and IX, the study does not need to be conducted if based on the physicochemical properties the substance can be expected to have a low potential for adsorption (e.g. the substance has a low octanol water partition coefficient), or the substance and its relevant degradation products decompose rapidly. The alcohol butanol has an
experimental determined log Kow of 0.88 (EPI Suite v4.11, exper. database match, Hansch et al., 1995).
In order to assess the adsorption potential of butanol, the Koc value was estimated using QSAR models. According to the MCI method of the KOCWIN v2.00 module of EPI Suite v4.11, the substance has a Koc of 3.471 (log Koc of 0.54). The estimated Koc by the log Kow method resulted in a Koc of 10.01 (log Koc of 1.0). The substance is within the applicability domain of both methods. These estimates are representative for uncharged molecules.
According the calculated results it can be concluded that adsorption to the solid soil phase is not to be expected.
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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