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Partition coefficient

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Description of key information

Estimated log Pow= 6.5 to 14.1


The estimated values of each constituent are as follows:


Log Pow of cosntituent A= 6.5


Log Pow of constituents B&C= 8.4


Log Pow of constituents D&E= 10.3


Log Pow of constituents F&G= 12.2


Log Pow of constituents H&I= 14.1


The constituent A has a measured log Pow value of 4.8 - 5.0.


It is noted that the measured values of "constituent A" are almost 2 log units lower than predicted value by KOWWIN. The experimental value of 4.8 is however what would be expected for a hydrolysis product of “constituent A”. The substance has been shown to hydrolyse in water, however at a much slower rate than could explain this discrepancy (T½ of ca.100 days at pH 7, see CAS 597 -82 -0).

Key value for chemical safety assessment

Additional information

The substance is UVCB containing 5 constitiuents. Reliable experimental data are available only for the main component (constituent A) of test substance. Two different studies are available. The first study corresponds to CAS 597 -82 -0, is in accordance with OECD TG 117 (HPLC method) and GLP criteria and is performed with "constituent A" alone. This study yielded a log Kow value of 5.0. In the second study corresponds to being registered substance, which was performed according to the same protocol, log Kow values were determined to be 4.8, 6.7 and 6.8 for "constituent A, B and C", respectively. The log Kow values determined for constituent B and C are however higher than should normally be determined in a HPLC study as it is considered suitable for log Kow values of up to 6. Therefore, in accordance with REACH guidance R.7a, the log Kow values for the different constituents A to I are calculated using KOWWIN (v1.68) module of software EPI Suite v.4.11.


Further, the substance contains 4 impurities at >0.1% for which ECHA disseminated data was gathered. These log Kow values are tabulated below.































Impurity



Log Kow



Comments



Phenol


(108 -95 -2)



ca. 1.5



peer reviewed literature; reliability 2



2 -ter-butylphenol


(88 -18 -6)



3.3



OECD 117; reliability 1



4 -tert-butylphenol


(98 -54 -4)



3.0



OECD 117; reliability 1



2,4 -ditertbutyphenol


(96 -76 -4)



4.8



OECD 117; reliability 1