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EC number: 205-232-8
CAS number: 136-23-2
The feasibility trial at a 1:1
n-octanol/water volume ratio yielded a mean partition coefficient
estimate of 110 (log Pow = 2.04). Based on this result, it was concluded
that n-octanol to water volumes ratios of 1:4, 1:2 and 1:1 would be
appropriate for the definitive test.
Stock and pH confirmation
The secondary stock solution of the test
substance in acetone used to fortify the partition samples had a mean
measured activity (from five replicate aliquots analyzed by LSC) of
30.7732 µCi/mL, which correspronds to a mean measured concentration of
314 µg/mL. For the feasibility trial, mean mass balance recovery was
110%. For the definitive test, the measured pH of the aqueous buffer
solution (saturated with n-octanol) and the measured pH of the aqueous
phase from a partition sample were within ± 0.1 of the target nominal pH
of 8. Prior to the definitive test, the measured pH of the aqueous
buffer solution (saturated with n-octanol) was 8.08, and the measured pH
value of the aqueous phase from a selected definitive test partition
sample was 8.05.
Mass balance determination
For each pH test condition, the total mass
recovered based on 14C was calculated for each of the six definitive
test vessels. A calculated mass balance was obtained for the test
substance in all vessels. The overall mean percent recovery for ZDBC for
the six vessels was 113 ± 6.2.
Table: Measured concentrations and partition
Solvent ratio (2)
Measured Concentration (M)
Mean log Pow
(1) The sample identification suffix “A” =
n-octanol phase and “B” = aqueous phase of a given test vessel.
(2) Expressed as the volume ratio of
n-octanol to water.
The Log Pow of the test substance was
determined to be 2.16 at 25 °C and pH 8 in a OECD TG 107 study using a
radiolabelled test item.
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