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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010-03-01 to 2010-04-01
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Well performed GLP study according to recent OECD technical guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
adopted April 13, 2004
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
May 2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Certificate attached to full study report.
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
N-(3-{1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxan-3-yl}propyl)prop-2-enamide
EC Number:
700-253-3
Cas Number:
115258-10-1
Molecular formula:
C15H37NO4Si4
IUPAC Name:
N-(3-{1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxan-3-yl}propyl)prop-2-enamide

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
5.5
Temp.:
25 °C
Remarks on result:
other: no pH-value given.
Details on results:
Method:
The partition coefficient of the test item was estimated using HPLC-method. The solution of the test item was injected three times. Based on chromatographic data, the test item was considered to be stable during the test procedure.

Calibration:
The partition coefficient was determined based on a calibration curve using 7 reference items (see Table 2). The difference between the three measurements of the reference mixture is less than the given limit of 0.1 log units. Therefore, the study is considered to be valid.

Linearity:
The linearity of the analytical method was confirmed in the log Pow-range from 1.0 to 5.1.
Calibration Curve: y = 0.2996 * x – 0.4111
Regression Coefficient (r²): 0.9407

Result:
The logarithmic partition coefficient (n-octanol/water) of the test item was extrapolated to be 5.4 using the HPLC method (25 °C +/- 1 °C).

Applicant's summary and conclusion

Conclusions:
The logarithmic partition coefficient (n-octanol/water) of the test item was extrapolated to be 5.5 using the HPLC method (25 °C +/- 1 °C).
Executive summary:

Guidelines:

- OECD Guideline for Testing of Chemicals, Guideline No. 117: ”Partition coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method”, adopted April 13, 2004

- EC regulation 440/2008, Part A, Methods for the determination of physico-chemical properties, A.8 ”Partition coefficient”, May 2008

Purpose: The purpose of the study was to determine the partition coefficient of the test item between n-octanol and water using the HPLC-method.

Results:

The partition coefficient was calculated based on a calibration curve using 7 reference items. The difference between the three measurements of the reference mixture was less than the given 0.1 log units. Therefore, the study is considered to be valid. The logarithmic partition coefficient (n-octanol/water) of the test item was extrapolated to be 5.5 using the HPLC method (25°C +/- 1°C).