Registration Dossier

Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
October 4, 2007- January 19, 2008
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study has been performed according to OECD and EU guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2008
Report Date:
2008

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
Deviations:
no
Qualifier:
according to
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Deviations:
no
Qualifier:
according to
Guideline:
other: Technical Guidance document in support of Commission Directive 93/67/EEC on Risk Assessment for new notified substances and Commission Regulation (EC) 1488/94 on Risk Assessment for existing substances. Part III Use of (Quantitative) Structure Activity Re
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC estimation method

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): Corsair Resin 5
- Substance type: UVCB
- Physical state: beige solid granules
- Stability under test conditions: stable
- Storage condition of test material: At room temperature in the dark
Radiolabelling:
no

Study design

HPLC method

Details on study design: HPLC method:
The principle of the test method is similar to that of the OECD Test Guideline 117: "Partition coefficient (n-octanol/ water) high performance liquid chromatography (HPLC) method" (adopted March 30, 1989). While passing through the column along with the mobile phase the test substance interacts with the stationary phase. As a result of partitioning between mobile and stationary phases, the test substance is retarded. The dual composition of a cyanopropyl stationary phase, having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between the retention time on the column and the Koc on organic matter to be established.

Since the test substance did not dissolve in the recommended solvent for this test or any other solvent, it was not possible to determine the Koc and log Koc value of the test substance using the HPLC method. Alternatively, the values were determined by QSAR calculations.

Batch equilibrium or other method

Computational methods:
Since it was not possible to determine the Koc and log Koc values of the test substance using the HPLC method, the QSAR calculation method was applied. Based on the water solubility of the test substance (< 2.30 x 10-4 g/l; see section 4.8) and its structural formula, the compound was classified as “predominantly hydrophobic”. For this chemical class, the log Koc is given as: logKoc = 0.81 x logPow + 0.10

Results and discussion

Adsorption coefficient
Type:
log Koc
Value:
6.14

Any other information on results incl. tables

The logarithm of the partition coefficient (log Pow) of one component of the test substance (i.e. the single string fatty acid amide using a modified structural formula) was calculated to be 7.46. Using this value, the Koc of this component of the test substance is calculated to be 1.38 x 106 and the corresponding log Koc = 6.14.

Considering that the alkyl chains in the modified structural formula were much shorter than in the original structure (C10 instead of C40), the real values for log Powand log Koc for the monomer are expected to be even higher. 

Applicant's summary and conclusion

Conclusions:
The Koc of one component of the test substance is calculated to be 1.38 x 10^6 with the corresponding log Koc = 6.14, as the HPLC method could not be used.