Registration Dossier
Registration Dossier
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EC number: 209-750-5 | CAS number: 592-34-7
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Accumulation in organisms is not to be
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 assessment of bioaccumulation. 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, and for reasons of animal welfare, further experimental studies on aquatic bioaccumulation 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 bioaccumulation potential of the parent compound is considered to be of low relevance. Although for hydrogen chloride and carbon dioxide no data on bioaccumulation are available, based on the expected low log Kow of these inorganic substances bioaccumulation is considered to be unlikely. Therefore, the assessment of bioaccumulation potential is based solely on the data available for butanol.
In accordance with column 2 of REACH Annex IX, the study does not need to be conducted since the substance has a log Kow ≤ 3. The calculated log Kow of the parent substance butyl chloroformate is 1.61 (EPI Suite v4.11, KOWWIN version 1.68) and the alcohol butanol (CAS 71 -36 -3) has an experimental determined log Kow of 0.88 (EPI Suite v4.11, exper. database match, Hansch et al., 1995).
However, in order to assess the bioaccumulation potential of the alcohol butanol, the BCF was calculated with BCFBAF v3.01, EPI Suite v4.11. Considering all three submodels the BCF values ranges from 1.475 (incl. biotransformation estimates, steady-state BCF Arnot & Gobas, 2003) to 1.704 (incl. biotransformation rate of zero, steady-state BCF (Arnot & Gobas, 2003) to 3.16 (BCF; Meylan et al., 1997/1999). The substance is entirely within the applicability domain (AD) of all submodels. Based on the available information on the log Kow of 0.88 it can be concluded that accumulation in organisms 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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