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Physical & Chemical properties

Partition coefficient

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Administrative data

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 February 2021 and Experimental completion date: 01 April 2021
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)
Version / remarks:
13 April 2004.
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
30 May 2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identification: Reaction products of fatty acids, C18 (unsaturated) alkyl and epoxidized Fatty esters, with amines polyethylenepoly-, tetraethylenepentamine fraction
Product ID 4575908
EC No.: 952-715-0
Batch number: MGD203K06
Appearance/Physical State: Yellow liquid
Purity: 100%; UVCB
Expiry date: 17 April 2023
Storage conditions: Room temperature in the dark
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
0.3 - 6.5
Temp.:
25 °C
pH:
9.1
Key result
Type:
Pow
Partition coefficient:
2 - 3 200 000
Temp.:
25 °C
pH:
9.1
Details on results:
As the test item was a complex mixture, it was considered that the HPLC method would be suitable for determination of the partition coefficient.
As the TEPA-Fatty acids and Fatty acids-TEPA-Fatty acids will have a pKa of approximately 9.8, testing at a pH where all of the test item components are unionized would have needed a test pH of greater than 12, which is not feasible.
Therefore, as the environmentally relevant pH range is 5 to 9, and all of the test item components will have approximately three pKa’s, in order to get an endpoint at an environmentally relevant pH, it was considered more relevant to do the test at pH 9.0 ± 0.1, in order to maximise the potential for the test item to be retained in biological systems.
Conclusions:
The partition coefficient of the test item at pH 9.1 has been determined to be over the range <2.0 to >3.2 x 10 E6 , log10 Pow over the range less than 0.30 to greater than 3.0.
Using area normalization, 96.2 % of the test item gave a log10 Pow of greater than 3.0.
Executive summary:

Over the range less than 2.0 to greater than 3.2 x 106 , log10 Pow over the range less than 0.30 to greater than 6.5, using the HPLC method, at pH 9.1, 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. Using area normalization, 96.2% of the test item gave a log10 Pow of greater than 3.0.

Description of key information

Key value for chemical safety assessment

Additional information

The partition coefficient of the test item at pH 9.1 has been determined to be over the range less than 2.0 to greater than 3.2 x 106 , log10 Pow over the range less than 0.30 to greater than 6.5. Using area normalization, 96.2 % of the test item gave a log10 Pow of greater than 3.0.