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EC number: 252-044-7
CAS number: 34455-00-0
Under the conditions of the study (22±2°C), the solubility of FBSEE diol
in Milli-Q reagent water was 531 mg/L (RSD=50%).
water solubility of FBSEE diol was determined according to the U.S. EPA
guidance document OPPTS 830.7840
“Water Solubility: Column Elution Method; Shake Flask Method”.
Triplicate samples were prepared by adding a nominal 100 mg aliquot of
neat FBSEE diol test substance to the bottom of a test vial, then 10 mL
of Milli-Q™ water was added to each vial. The vials were sealed with
screw caps and were incubated sideways at approximately 30°C with
shaking at 100±10 rpm for three incubation time points (1, 3, and 4
days). At the end of each time point, the vials were removed from the
incubator, centrifuged, and allowed to equilibrate for approximately 24
hours. The vials were centrifuged again. Duplicate aliquots were removed
from each aqueous phase and diluted with 1:1 methanol:Milli-Q water for
LC/MS/MS analysis. The average water solubility of FBSEE diol at Time
point 1, 2, and 3 were 543 mg/L, 531 mg/L, and 515 mg/L, respectively.
The overall average water solubility was 531 mg/L (RSD = 5.3%, n=15).
The analytical method uncertainty was determined to be 100% ±18.9%, but
expanded to 100% ± 50%, due to 10 out of 15 samples having peak areas
above the calibration range, but bracketed by high-level LCS samples.
This is a guideline study conducted under GLP. However, due to the high
method uncertainty, it is considered reliable with acceptable
restriction (Klimisch 2) and a key study.
previous experiment was performed on a single sample by mixing equalweights
of FBSEE and DI water and equilibrated overnight at 22 °C. The sample
was dissolved and diluted to 10 % (W/V) in stabilized THF spiked with 10
ppm (W/V) 1,4-Butanediol and analyzed by capillary gas chromatography.
Water Saturated with FBSEE at 22 °C had a measured concentration of
0.0592 w/w% in water. This is a preliminary study that meets generally
acceptable scientific principle. However, it lacks analytical details
and was not conducted under GLP. Therefore, it is considered reliable
with restriction (Klimisch 2) and a supporting study.
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