Registration Dossier
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EC number: 443-050-2 | CAS number: 120903-40-4 PERFLUOROHEXANE NITRILE VINYL ETHER
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient of the hydrolysis product MV5CN amide is 4.0 (OECD 105)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4
- at the temperature of:
- 20 °C
Additional information
MV5CN is hydrolytically active. The n-Octanol/Water Partition Coefficient (log Kow) of the hydrolysis product MV5CN amide was determined according to OECD 107 “Partition Coefficient (n-Octanol/Water), Shake Flask Method” and EPA OPPTS 830.7550 "Partition Coefficient (n-Octanol/Water), Shake Flask Method". Duplicate samples of test material were prepared in each of the three octanol/water ratios (1:1, 1:2, and 2:1). The total volume was 12 mL. The test vessels were dosed at 1.90 mg. All test vessels were shaken for 30 minutes. The test vessels were centrifuged at a setting of 16421g and 20 °C for 5 minutes to ensure phase separation. Aliquots from n-octanol phase were removed, diluted with acetonitrile then diluted further with 50:50(v/v) acetonitrile/water. Aliquot of water phase sample were diluted in 1:1 (v:v) ratio with acetonitrile. All samples were analyzed using Ultra performance liquid chromatography/Tandem mass spectrometer (UPLC-MS/MS). Total recovery of test material from both phases was 99-103%.
The average measured Kow was 9700 (SD = 360) which corresponds to a log Kow of 4.0.
This was a guideline study conducted under GLP compliance. Therefore, it is considered reliable without restrictions.
An additional study was done on the parent material using the ratio of solubility in n-octanol and water. No guideline exists for measurement of octanol solubility. Per Chapter R.7a of Guidance on Information Requirements and Chemical Safety Assessment, the general principles of OECD TG105 (water solubility) apply to octanol solubility measurement. The n-octanol solubility of MV5CN was determined in 2002 according to EU Method A.8 (Flask Method) and was compliant with GLP criteria. However, the water solubility could not be determined as the concentration was below the limit of detection (<0.4 mg/L). The average n-octanol solubility was determined to be 17.5 g/L. The log Pow of the test substance at room temperature was calculated to be >4.6. Since the water solubility value wasn't clearly defined due to detection limitations, the study is considered reliable with restriction
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