Rape oil, oxidized

Adsorption / desorption

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

Test material information

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:

Oxidation products of seed oil obtained from Brassica napus, Brassicaceae (rapeseed)

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 K_ocwas 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 K_oc= 0.81 x logP_ow + 0.10

The partition coefficient, P_ow, of Blown rapeeed oil was determined to be >1x10⁶(log P_ow > 6) using the estimation method (section 4.7). Using this log P_owvalue and the above given equations, log K_ocof 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