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Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
09 February 2010 – 19 April 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Principles of method if other than guideline:
The adsorption coefficient (Koc) cannot be determined using the HPLC method since Blown rapeseed oil does not dissolve in water, methanol and acetonitrile at a concentration of 1 g/l required for refractive index detection. Due to its low solubility in aqueous solvents, also OECD106 is not applicable. As an alternative, the adsorption coefficient was determined using a quantitative structure activity relationship (QSAR).
GLP compliance:
no
Type of method:
other: QSAR

Test material

Constituent 1
Reference substance name:
Rape oil, oxidized
EC Number:
305-871-3
EC Name:
Rape oil, oxidized
Cas Number:
95193-59-2
Molecular formula:
Not applicable (a generic molecular formula cannot be provided for this specific UVCB substance).
IUPAC Name:
Rape oil, oxidized
Details on test material:
- Name of test material (as cited in study report): Blown rapeseed oil
- Substance type: Yellow to brown viscous liquid
- Physical state: liquid
- Analytical purity: treated as 100% pure
- Expiration date of the lot/batch: 16 December 2010
- Stability under test conditions: stable
- Storage condition of test material: At room temperature in the dark

Radiolabelling:
no

Results and discussion

Adsorption coefficient
Key result
Type:
log Koc
Value:
> 4.96 dimensionless
Temp.:
20 °C
Remarks on result:
other: QSAR for predominantly hydrophobics given in Technical Guidance document

Any other information on results incl. tables

The log Kocwas calculated using the QSAR for predominantly hydrophobics given in 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. This QSAR was used because Blown linseed oil is a hydrophobic compound:

Log Koc= 0.81 x logPow + 0.10

The partition coefficient, Pow, of Blown rapeeed oil was determined to be >1x106(log Pow > 6) using the estimation method (section 4.7). Using this log Powvalue and the above given equations, log Kocof Blown linseed oil was calculated to be > 4.96.

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Using the log Pow value and the above given equation, log Koc of Blown rapeseed oil was calculated to be > 4.96