Trimethoxy(3,3,3-trifluoropropyl)silane

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental starting date: 24 September 2019, Experimental completion date: 11 March 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Trimethoxy(3,3,3-trifluoropropyl)silane

EC Number:

207-059-3

EC Name:

Trimethoxy(3,3,3-trifluoropropyl)silane

Cas Number:

429-60-7

Molecular formula:

C6H13F3O3Si

IUPAC Name:

trimethoxy(3,3,3-trifluoropropyl)silane

Test material form:

liquid

Specific details on test material used for the study:

Identification: ST2092NM
Appearance/Physical state: clear, colourless, liquid
Batch: 802496
Purity: 100%
Expiry / Retest date: 31 October 2020
Storage conditions: room temperature, in the dark

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

2.81

Temp.:

30 °C

pH:

6.2

Any other information on results incl. tables

Preliminary Estimate:

The log₁₀P_owwas calculated to be:   0.73

Definitive Test:

Calibration

The retention times of the dead time and the retention times, capacity factors and log₁₀ P_owvalues for the reference standards are shown in the following table:

Standard	Retention Time (min)			Capacity Factor (k')	Log10k'	Log10Pow
	Injection 1	Injection 2	Mean
Thiourea (dead time)	1.500	1.505	1.503	-	-	-
Benzyl alcohol	1.843	1.843	1.843	0.227	-0.645	1.1
Benzonitrile	2.441	2.441	2.441	0.625	-0.204	1.6
Benzene	3.218	3.218	3.218	1.14	5.76 x 10^-2	2.1
Toluene	4.219	4.212	4.216	1.81	0.257	2.7
Naphthalene	5.393	5.386	5.390	2.59	0.413	3.6
Phenanthrene	9.994	9.979	9.987	5.65	0.752	4.5

The calibration curve was obtained from these results.

Partition coefficient of sample

The retention time, capacity factor and log₁₀P_owvalues determined for the sample are shown in the following table:

Injection	Retention Time (min)	Capacity Factor (k')	Log10k'	Log10Pow
1	3.794	1.53	0.183	2.81
2	3.787	1.52	0.182	2.81

Mean log₁₀P_ow:         2.81
Partition coefficient:  645

Applicant's summary and conclusion

Conclusions:

The partition coefficient of the test item has been determined to be 645, log10 Pow 2.81.

Executive summary:

Partition Coefficient (n-Octanol/Water). 645, log₁₀P_ow 2.81, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.