Reaction mass of 1,1,2,2,3,3,3-heptafluoro-N-(heptafluoropropyl)-N-(pentafluoroethyl)propan-1-amine and 1,1,2,2,3,3,3-heptafluoro-N-(heptafluoropropyl)-N-(trifluoromethyl)propan-1-amine and 1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)propan-1-amine

Water solubility

Description of key information

MTDID 50908 is a multi-constituent substance. The average measured water solubility ranged from < 0.00516 µg/L to 1.84 µg/L at 23.6°C for the identified primary components. Read across from a category member was used to establish a water solubility of 66.2 µg/L at ca. 23 °C for an impurity.

Additional information

The water solubility of MTDID 50908 was determined using OPPTS 830.7840 “Water Solubility: Column Elution Method; Shake Flask Method”. Triplicate test vials were prepared by injecting adequate amounts of MTDID 50908 into the test vials pre-filled with Milli-Q reagent water to zero-headspace. The vials were incubated horizontally at approximately 30°C with a shaker setting of 100 revolutions per minute (RPM) for 3 time points (14, 18, and 24 incubation days). At the end of each time point, the vials were placed at room temperature for at least 24 hours to equilibrate to ambient temperature ranged from 23.2 - 23.8°C. Samples were then centrifuged at 1000 rpm for approximately 30 minutes. A single 20-mL aliquot samples were removed from each vial and dispensed into four separate analysis vials containing 5 mL of Milli Q water, resulting in triplicate sample and one laboratory matrix spike sample. All samples were analyzed using purge and trap gas chromatography/mass spectrometry (GC/MS).

MTDID 50908 is a multi-constituent substance.Water solubility was determined for the compounds identified as Component A and Component H (Component A and Component H are isomers and were not chromatographically resolved), Component B, Component D, and Component F. The average measured water solubility of Component A and H is 1.84 µg/L (RSD = 19%), the average water solubility of Component B is 0.0418 µg/L (RSD = 17%), the average water solubility of Component D is 0.679 µg/L (RSD = 22%), and the average water solubility of Component F is <0.00516 µg/L (RSD = not applicable) at 23.6°C.

This is a guideline study conducted under ISO17025. Water solubilities are reported for the primary components listed in the composition. Other materials present below 1% are more water soluble, such that water solubility of the primary components does not reflect total amount of material in water solution. Therefore, it is considered reliable with restriction and a key study.

Additional data were available for Component F and an impurity of MTDID 50908 by readacross from category members. In both cases, the category member consists predominantly of the relevant fraction of MTDID 50908. Component F had a water solubility of 0.381 µg/L (range, 0.0695 μg/L – 1.96 μg/L), whereas the impurity (not identified in the experimental study) had a water solubility of 66.2 µg/L (both at ca. 23 °C). It is not known why Component F was not detected in the study of MTDID 50908 solubility. However, the range of water solubilities in the source study, which used a relatively pure composition of Component F, does not support the use of this result for a mixture. Please see IUCLID section 13 for the category justification and a matrix of physicochemical and distribution data for members of the Perfluorinated Organic Chemicals C5-C18 category.