Tall-oil fatty acids oligomeric reaction products with triethylenetriamine and gylcidyl tolyl ether

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental starting date: 25 July 2017 Experimental completion date: 07 February 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Other quality assurance:

ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Identification: Tall-oil fatty acids oligomeric reaction products with
triethylenetetramine and glycidyl tolyl ether
Short name: TOFA-TETA-CGE
CAS number: 1628940-03-3
Appearance/Physical state: dark yellow viscous liquid
Batch: Ei 4015
Purity: 100% product (UVCB)
Expiry date: 15 November 2021
Storage conditions: room temperature, in the dark

Key result

Type:

log Pow

Remarks on result:

other: The partition coefficient of the test item has been determined to be over the range <2.00 to 2.14 x 104 and >3.16 x 106, and with a log10 Pow over the range <0.3 to 4.33 and >6.5.

Details on results:

A preliminary assessment calculation based on fragment constant methodology was not
carried out due to no definitive structure being available at the time. Also, as the test item
was a complex mixture, calculation of a partition coefficient estimate based on solubility in
octanol and water was not applicable. However, as the test item was a mixture, then the
HPLC method was the only applicable method to try.
The mobile phase was acidified (pH 3.1) due to the presence of carboxylic acid groups in the
test item so that these were analysed in their un-ionised form as required by the test
guidelines.
Although a large number of peaks were detected in the chromatogram of the test item, a
select few that covered the range were incorporated into Table 19.
As the test item was a complex mixture the overall result had to be reported as a range.

Conclusions:

The partition coefficient of the test item has been determined to be over the range <2.00 to
2.14 x 104 and >3.16 x 106, and with a log10 Pow over the range <0.3 to 4.33 and >6.5.

Executive summary:

Partition Coefficient. Over the range <2.00 to 2.14 x 104 and >3.16 x 106, and a log10 Pow

over the range <0.3 to 4.33 and >6.5, 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.

Description of key information

The partition coefficient of the test item has been determined to be over the range <2.00 to 2.14 x 104 and >3.16 x 106, and with a log10 Pow over the range <0.3 to 4.33 and >6.5. The registered substance is a mixture of chemical species (UVCB) and therefore the results of th OECD 107 (HPLC method) should be considered with caution due to its qualitative nature. It is therefore considered that the OECD 107 (shake-flask) may be more appropriate due to provide specific quantified results for each component. Based the chemical structure of the registered substance, bioaccumultion is unlikely and therefore the mean LogKow has been calculated (3.71) and will be used for risk assessment purposes.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.71

at the temperature of:

20 °C