Registration Dossier
Registration Dossier
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EC number: 288-927-9 | CAS number: 85940-40-5
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
11.93 to 37.42 (calculated values, 25°C)
Key value for chemical safety assessment
Additional information
The test item consists of two peak groups (see GLP study 12L00323, section 7 HPLC fingerprint). Although the test item was found to be surface active, the HPLC method was applied and yielded:
1st peak group: log Pow < 1.1 (- 70 area %*)
2nd peak group: log Pow = 1.1 -4.9 (- 30 area %*)
at T = 30°C and pH = 3.1 (pH value of the water I formic acid mixture used for the preparation of the eluent)
* HPLC area % detected with ELSD (evaporative light scattering detector), values estimated from measurements performed
under GLP study 12L00323
The estimation of the Pow from the solubilities of the test item in water and in n-octanol is not possible, because the solubility in
water and n-octanol cannot be determined definitely.
As the experimental results are deemed invalid, partition coefficients for the main components were calculated.
For this EpiSuite 4.1 was chosen.
The main components do not fit in the applicability domain of the software because the molecular weight is higher than that of test set and more than the maximum number of the CH2-fragment are present in the molucule in cmparison to the test set.
Nevertheless the results are not totally fallacious.
There are no chemical fragments in the substance which not appear in the test set.
The calculated values are all very high, 11.93 up to 37.42.
As stated in 6.2 KOWWIN Estimation Accuracy & Domain in the KOWWIN Help, results which are not covered completely by the range from the test set are not completely faulty, they may be just a bit less accurate.
Taking this into consideration the results show nevertheless that the substance is in all likelihood not bioavailable.
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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