Registration Dossier

Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
4 March - 18 April 2008
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study has been performed according to EC guidelines and according to GLP principles.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

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:
other: QSAR

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material (as cited in study report): Aquapel® 203
- Substance type: yellow fatty liquid
- Physical state: liquid
- Analytical purity: 89.9%
- Lot/batch No.: G12FY067
- Expiration date of the lot/batch: 12 June 2008
- Stability under storage conditions: stable
- Storage condition of test material: at room temperature in the dark
Radiolabelling:
no

Study design

Test temperature:
Not applicable.

HPLC method

Details on study design: HPLC method:
Preliminary tests were performed to investigate whether the adsorption coefficient (Koc) of the test substance could be determined by the HPLC method. In the chromatograms obtained under standard conditions no test substance related compounds were observed (results are archived in the raw data). Possible reasons could be that the test substance eluted with the injection plug, interacted strongly with the stationary phase of the analytical column and/or was not completely dissolved in the aqueous test solutions. Based on the results obtained it was concluded that it was not possible to obtain the Koc of the test substance using the HPLC method. A quantitative structure activity relationship (QSAR) was applied for the determination of the Koc of the test substance.

Batch equilibrium or other method

Analytical monitoring:
not required
Computational methods:
According to information on the water solubility of the test substance i.e. < 1 mg/l, the substance was classified as “predominantly hydrophobic”. For this chemical class, the log Koc equation is given as:

log Koc = 0.81 logPow + 0.10





Results and discussion

Adsorption coefficientopen allclose all
Type:
Koc
Value:
> 230 000
Type:
log Koc
Value:
> 5.4

Any other information on results incl. tables

The log Pow of the test substance was > 6.5. Using this value, the log Koc of the test substance was calculated to be > 5.4. It corresponds with a Koc value of > 2.3 x 10^5.

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
The log Pow of the test substance was > 6.5. Using this value, the log Koc of the test substance was calculated to be > 5.4. It corresponds with a Koc value of > 2.3 x 10^5.