Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Testing was performed according to guideline

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Reaction products of fatty acids, C18-unsatd., dimers, partly hydrogenated with N,N-dimethyl-1,3-propanediamine
EC Number:
937-688-5
Cas Number:
1391530-05-4
Molecular formula:
C46H82N4O2 to C46H94N4O2
IUPAC Name:
Reaction products of fatty acids, C18-unsatd., dimers, partly hydrogenated with N,N-dimethyl-1,3-propanediamine

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
> 9.4
Temp.:
40 °C
pH:
10.7
Details on results:
The HPLC chromatogram showed a single peak eluting at approx. 61.9 min. By extrapolation of the calibration curve the logPow was determined to be > 9.4

Any other information on results incl. tables

Table 3: Results

Injection

Retention Time (min)

Capacity Factor (k)

Log k

Log Pow

1

61.905

> 37.7

> 1.58

> 9.4

2

61.946

>37.7

> 1.58

> 9.4

The test material has a predicted dissociation constant (pKa) of 9.45 ± 0.28 using ACD/I-Lab Web Service (ACD/pka 8.03). Testing was performed at pH 10.7 to obtain the test material in its non-ionized form. As testing was carried out at pH 10.7, a correction was made to obtain an estimated logPow value for the test material at an environmentally relevant pH (pH 7). The corrected logPow (P'ow) was calculated using the equation:

P'ow = Pow/1 +10(pka-pH)

The test material has a P'ow (corrected partition coefficient) of > 8.88 x106 and a logP'ow of > 6.95 at pH 7

Applicant's summary and conclusion

Conclusions:
The logPow of the substance is > 9.4 indicating the substance has a potential to bioaccumulate in the environment.
Executive summary:

The partition coefficient of the substance was determined by an HPLC method according to the guidelines in EU method A.8.

The logPow of the substance is > 9.4 at pH 10.7. Using computer estimation software, ACD/I-Lab Web Service (ACD/pka 8.03), the logPow was estimated to be >6.95 at pH 7.0