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Partition coefficient

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Description of key information

Log(Kow) for FBSEE diol was measured to be 2.7 (0.65% RSD) at an average temperature of 22°C

Key value for chemical safety assessment

Additional information

The n-Octanol/Water Partition Coefficient (log Kow) of FBSEE diol was determined according to U.S EPA guidance document OPPTS 830.7550 "Partition Coefficient (n-Octanol/Water), Shake Flask Method" and was conducted under GLP. Duplicate samples of FBSEE diol were prepared in each of the three octanol/water ratios (1:1, 2:1, and 1:2) at an average temperature of 22 °C. The samples were rotated 180 ° about their transverse axis for more than 50 rotations over a nominal 24 hour period at > 28 RPM to ensure proper mixing of the test system solvents. The samples were then centrifuged at 1500 RPM for 20 minutes, and the aqueous and n-octanol phases were carefully removed. For each test vial, duplicate aliquot of water and n-octanol phase were diluted and analyzed using LC/MS/MS. The determined log Kow values ranged from 2.64 to 2.68 for all six samples. The overall average log Kow was 2.7, and overall RSD% was 0.65%. This is a guideline study conducted under GLP compliance. Therefore, it is considered reliable without restrictions (Klimisch 1) anda key study.

 

A previous experiment was conducted accordingto the OECD 117 (Partition Coefficient (n-octanol / water), HPLC Method) but was not conducted under GLP. A single solution containing the FBSEE diol and six calibration compounds was prepared at 0.1 to 0.3% level in acetonitrile, and analyzed in duplicates by HPLC with Refractive Index (RI) detector. The log Kow of FBSEE diol was determined to be 2.68. This is a guideline study, however, it lacks analytical details and was not conducted under GLP. Therefore, it is considered reliable with restrictions (Klimisch 2) and a supporting study.