2-[3-(9-butyl-1,1,3,3,5,5,7,7,9,9-decamethylpentasiloxanyl)propoxy]ethyl methacrylate

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

July 29, 2013 - November 7, 2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study was performed in accordance with the EC A.8 and OECD 117 guidelines and complied with the principles of GLP.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Version / remarks:

(2008)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

(2004)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Version / remarks:

(1996)

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

2-[3-(9-butyl-1,1,3,3,5,5,7,7,9,9-decamethylpentasiloxanyl)propoxy]ethyl methacrylate

EC Number:

801-072-3

Cas Number:

1052075-57-6

Molecular formula:

C23H54O7Si5

IUPAC Name:

2-[3-(9-butyl-1,1,3,3,5,5,7,7,9,9-decamethylpentasiloxanyl)propoxy]ethyl methacrylate

Details on test material:

- Name of test material (as cited in study report): KF-1622
- Description: Clear colourless liquid
- Storage condition of test material: In refrigerator (2-8°C) in the dark
- Expiration date of the lot/batch: May 17, 2014

Results and discussion

Partition coefficient

Partition coefficient 1

Type:

log Pow

Partition coefficient:

> 7.2

Temp.:

35 °C

Remarks on result:

other: Non-buffered mobile phase

Partition coefficient 2

Type:

Pow

Partition coefficient:

> 16 000 000

Temp.:

35 °C

Details on results:

- In the chromatogram of the test solution, one major peak and 3 smaller test substance peaks were observed.
- For the major peak (Peak area 98.5%) a retention time of 29.19 minutes was observed.
- Under the same analytical conditions, the retention time of Benzo[ghi]perylene (log Pow = 7.2) was 18.23 minutes.

Any other information on results incl. tables

Results HPLC method

Substance	tr,1 [min]	tr,2 [min]	mean tr (n=2)	log Pow	Pow	Area %
4,4’-DDT	11.402	11.464	11.433	6.5
Benzo[ghi]perylene	18.203	18.249	18.226	7.2
Test substance_peak 1	29.084	29.074	29.079	> 7.2	1.6 x 10^7	0.2
Test substance_peak 2	29.191	29.182	29.187	> 7.2	1.6 x 10^7	98.5
Test substance_peak 3	29.388	29.376	29.382	> 7.2	1.6 x 10^7	1.0
Test substance_peak 4	29.584	29.569	29.577	> 7.2	1.6 x 10^7	0.3

Remarks:

- Log Pow value for Benzo[ghi]perylene according to Verschueren, K. (1996) Handbook of Environmental Data on Organic Chemicals, 3rd ed. Ultra Scientific, North Kingstown, USA

- Log Pow value for 4,4’-DDT according to OECD 117

Applicant's summary and conclusion

Conclusions:

The log Pow of the substance has been determined as >7.2 using the HPLC method (GLP-compliant study in accordance with EC A.8, OECD 117 and EPA OPPTS 830.7570). The HPLC chromatogram of the test substance showed one major (98.5% area) and 3 smaller peaks; all with a retention time > reference substance Benzo[ghi]perylene (log Pow of 7.2). It was therefore concluded that the log Pow of the substance is >7.2.