Trimethylolpropane, mixed triesters with decanoic, heptanoic, octanoic, and 3,5,5-trimethylhexanoic acids

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 October 2016 to 24 November 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

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

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

> 10

Temp.:

40 °C

pH:

7.1

Details on results:

RESULTS
- The estimated Log10 Pow for the representative structure of the test item was calculated to be 10.34.
- Typical chromatography for the definitive test is presented in Appendix 2 (attached).
- Retention times of the dead time and retention times, capacity factors (k’) and Log10 Pow values for the reference standards are shown in Table 9 (attached).
- Retention times, capacity factor and Log10 Pow values determined for the sample are shown in Table 10 (attached).

DISCUSSION

- The result from the preliminary test and as the test item was a complex mixture indicated that the HPLC method was suitable for determination of partition coefficient for this test item.

- The test was modified from that stated in the guidelines to allow assessment of the partition coefficient up to a value of Log10 Pow 10.0 by the use of additional reference standards. Additionally, the mobile phase contained only 20 % water, instead of the guideline recommended minimum of 25 %, to reduce the retention time of the highly retained additional reference standards.

- The mobile phase pH was unadjusted as the representative structure for the test item had no functionality with a dissociation constant within the environmentally relevant range.

- There is a peak integrated in the sample chromatography at approximately 48 mins which was calculated to have a Log10 Pow of 9.61. This was not included in the final test result as it was considered not significant to the test item overall with it being less than 0.2 % by peak area.

Conclusions:

The partition coefficient of the test item was determined to be greater than 1.0 x 10E10 with Log10 Pow > 10.0.

Executive summary:

GUIDELINE

The determination was carried out using the HPLC method and a procedure 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.

 

RESULTS

The partition coefficient of the test item was determined to be greater than 1.0 x 10E10 with Log10 Pow > 10.0.

Description of key information

The partition coefficient of the test item was determined to be greater than 1.0 x 10E10 with Log10 Pow > 10.0 (OECD 117 and EU Method A.8).

Additional information

GUIDELINE

The determination was carried out using the HPLC method and a procedure 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.

 

RESULTS

The partition coefficient of the test item was determined to be greater than 1.0 x 10E10 with Log10 Pow > 10.0.