Registration Dossier
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EC number: 203-444-5 | CAS number: 106-93-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The key value selected for this endpoint was derived by QSAR model. The model used was fully validated for this type of substance (organics) and for the endpoint.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.011
Additional information
The key value for this endpoint was derived using the EPIWIN QSAR model. This model (EPIWIN, KOWWIN, Version 1.67) was fully validated for the type of substance and for the endpoint. Due to the model being validated a reliability score of 1 was assigned to this data. The SMILES code used as a basis for this calculation was the same as stated in the reference substance section of this dossier.
The key value is supported by the value given by HSDB, 2005, which states a value of 1.96. This value is 0.05 away from the key value. No information on the methodology used to obtain this result is provided.
Steinberg et al, 1987, used a method similar to the OECD 107 Guideline (Partition Coefficient (n-octanol/water), Shake Flask Method), to achieve a result of Pow 86.
HSBD, 2005, and Steinberg et al, 1987, are presented as supporting information only.
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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