Reaction Mass of (1R)-1-[(1S)-3,3-dimethylcyclohexyl]ethyl formate and (1R,2S)-2,6,6-trimethylcycloheptyl formate

Adsorption / desorption

Description of key information

The adsorption behaviour of the substance was determined by the HPLC method according to OECD TG 121 and in compliance with GLP. Under the conditions of the test, the log Koc of the substance was determined at 2.99 (equivalent Koc = 977 L/kg). Seven peaks were found with log Koc values of <1.26, 1.63, 2.24, 3.07, 3.46, 3.60 and 3.96. These different peaks can be either constituents of the substance, impurities or degradation products. These degradation products could have been formed due to hydrolysis of the ester bond resulting in formic acid and the respective alcohol. The area% resulting from the UV detection should not be regarded as composition information of the test substance as the different components can have widely differing sensitivity on the UV detector. Therefore the area% might not be related to the actual composition of the test substance and it is thus difficult to identify which peak can be related to the main constituent of the substance and which to the minor one or to the potential degradation products formic acid and the respective alcohol. Therefore, in line with determination of the octanol-water partition coefficient (Kow), the 1st peak is considered unlikely to be the substance or one of its constituents and therefore this peak is excluded for calculation of the average log Koc. When the log Koc values of peak 2-7 are averaged , this results in a log Koc value of 2.99 (corresponding to a Koc of 977 L/kg).

Key value for chemical safety assessment

Koc at 20 °C:

977