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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05 September 2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The test was conducted according to the principles of GLP using HPLC method. Shake Flask method in progress.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Test material form:
other: Solid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-5.17 - 3.98
Remarks on result:
other: No unit
Details on results:
The calibration graph and reference standard data used for this determination is displayed in Figure 4.1 (see attached background material) with chromatographic profiles shown in Figure 4.2 (see attached background material). The chromatograms for the test material in Figure 4.2 (see attached background material) show five peaks. The capacity factor, k, for the first peak was negative therefore the log Pow value could not be accurately quantified. A value of log Pow = -5.17 was assumed to allow the calculation of the mean CHARM value for the test material. Calculations were performed on duplicate analytical results obtained for the test material and are given in Table 4.3 (see attached background material).

The mean CHARM weighted average log Pow for the soluble components of VX10104SQ (Lot# NES426-075) was calculated to be 2.1.

The range of log Pow for the five peaks observed was from -5.17 to 3.98.

Applicant's summary and conclusion

Conclusions:
The mean CHARM weighted average log Pow for the soluble components of VX10104SQ (Lot# NES426-075) was calculated to be 2.1.
The range of log Pow for the five peaks observed was from -5.17 to 3.98.
Executive summary:

The partition coefficient of the test substance was measured based on OECD guideline 117: "Determination of the n-octano/lwater partition coefficient by HPLC".

The range of log Pow for the five peaks observed was from -5.17 to 3.98.