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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Name: Cypriol (Cyperus Scariosus ext. Oil)
Lot No. Lot#11/CYP/2016
Purity 100
Manufactured date November 2016
Expiry Date October 2018


Key result
Type:
Pow
Partition coefficient:
ca. 4 038.58
Temp.:
20 °C
pH:
ca. 6
Details on results:
Method Validation
Linearity and Range of Detector Response
The linear response of the detector for Methoxyfenozide Technical was established from a series of five standards with concentrations ranging from 0.50 to 20.14 mg/mL. A plot of the concentration (X-axis) and peak area (Y-axis) with a correlation coefficient (r) value of 1.0000 andconfirmedthe linearity of detector response between 0.50 to 20.14 mg/mL (Figure 1, Table1).
LOD and LOQ
The limit of detection (LOD) of the method was calculated from the linear regression coefficients and was0.710mg/mL
The limit of quantification (LOQ) of the method was calculated from the linear regression coefficients and was2.130mg/mL at this concentration the S/N ratio was 10.80.
Accuracy
The accuracy test was carried out in n-Octanol and double distilled water. The n‑Octanol sample was fortified with Methoxyfenozide Technical at nominal concentrations of 1 and 1000mg/mL, whereas the double distilled water was fortified at 2 and 10mg/mL (Figure 4 and Figure 6).
The accuracy of the method (as mean percent recovery) were 98.28 and 99.97 % in n-Octanol [pre‑saturated with double distilled water], at 3 and 1000mg/mL, respectively (Table 2).
 The accuracy of the method (as mean percent recovery) was 94.99 and 86.57 % in double distilled water [pre-saturated with n-octanol] at 2 and 10mg/mL, respectively (Table 2).
Precision
Theprecisiontest was carried out through sample analysis in triplicate.
The precision of the method was 0.62 and 0.55 in n-octanol [pre-saturated with double distilled water] for low dose and high dose respectively (Table 2)
The precision of the method was 1.29 and 0.57 in double distilled water [pre-saturated with n‑Octanol] for low dose and high dose respectively (Table 2).
Specificity
The specificity of the method was acceptable as there was no interference peak in control (unfortified) n-Octanol and double distilled water at or near the retention time of the Methoxyfenozide Technical (Figure 3 and Figure 5).

System Suitability Test

System precision was checked by calculating relative standard deviation (% RSD) from the peak area values and retention time of all replicate injections of a working standard solution and was less than 2.0% in each case. Diluent, injected at the end of system suitability test, did not show injection carryover.

Partition Coefficient ofCypriol

The analysed concentration of Cypriol (Cyperus Scariosus ext. Oil) stock solutions prepared in n‑octanol pre-saturated for the tests with double distilled water was 962.7mg/mL.

The mean maximum and minimum temperature during the experimental period was 20.4 and 19.9 ºC, respectively.

The details of volume of test item stock solution, n-octanol and double distilled water added, aliquot of n-octanol and double distilled water taken for dilution are presented in Table 3.

The results of partition coefficient are presented in Table 4.

The pH of the double distilled water (saturated with n-octanol) after partition coefficient in different ratios is 6.0.

The mean partition coefficients (Pow) and log Powof Cypriol (Cyperus Scariosus ext. Oil) at the three volume ratios tested are presented below

Octanol-Aqueous Phase

Ratio

Mean POW

Mean Log POW

Octanol-Double distilled water

1:1

3587.71

3.56

1:2

4436.97

3.65

2:1

4091.06

3.61

The overall mean partition coefficient (Pow) and log Pow of Cypriol (Cyperus Scariosus ext. Oil) at 20 ± 1ºC is presented below.

Octanol-Aqueous Phase

Overall

Mean POW± s.d.

Overall Mean

Log POW± s.d.

Octanol-Double distilled water

4038.58±511.76

3.60± 0.05

The representative chromatograms of Methoxyfenozide Technical in Octanol and aqueous layers are presented from Figure7 and
Figure 8.

Conclusions:
The mean partition coefficient (Pow) of the test substance was found to be 4038.58 POW at 20 ºC.
Executive summary:

The mean partition coefficient (Pow) of the test substance was found to be 4038.58 POW at 20 ºC.

Description of key information

The mean partition coefficient (Pow) of the test substance was found to be 4038.58 POW at 20 ºC.

Key value for chemical safety assessment

Additional information