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Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption, other
Remarks:
calculation
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
01 October 2014 - 13 November 2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: calculation according to accepted formulas

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Deviations:
no
Principles of method if other than guideline:
Calculation performed using the equation provided in the European Chemicals Bureau: Technical Guidance Document on Risk Assessment, Chapter 4 "Predominantly hydrophobobics".
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
Company code
IUPAC Name:
Company code
Details on test material:
- Name of test material (as cited in study report): MTDID 16437
- Substance type: single component
- Physical state: Clear colourless liquid
- Storage condition of test material: At room temperature in the dark under nitrogen
Radiolabelling:
no

Study design

Test temperature:
Not Applicable

HPLC method

Details on study design: HPLC method:
EQUIPMENT
- Apparatus: Acquity UPLC system (Waters, Milford, MA, USA)
- Type: UPLC
- Type, material and dimension of analytical (guard) column: Acquity UPLC HSS Cyano, 100 mm × 2.1 mm i.d., dp = 1.8 μm (Waters),
- Detection system: Acquity UPLC PDA detector (Waters),
- Column temperature: 23°C ± 1°C
- Flow: 0.4 ml/min
- Injection volume: 5 μl
- UV detection: 210 nm

MOBILE PHASES
- Type: 55/45 (v/v) methanol/0.01 M phosphate buffer at pH 7
- Experiments with additives carried out on separate columns: no
- pH: 7
- Solutes for dissolving test and reference substances: methanol and 55/45 (v/v) methanol/0.01M phosphate buffer pH 7

DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column: unknown

REFERENCE SUBSTANCES
- Identity: 4,4’-DDT (CAS# 50-29-3) (98.2%, Supelco, Bellefonte, PA, USA).

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 0.51 - 3.875 µg (5 µl of nominal concentrations of 102 - 775 mg/l).
- Quantity of reference substances: not reported
- Intervals of calibration: not reported

REPETITIONS
- Number of determinations: not reported

EVALUATION
- Calculation of capacity factors k': not reported
- Calculation of retention times: None
- Determination of the log Koc value: None

Results and discussion

Adsorption coefficient
Type:
log Koc
Value:
3.34 dimensionless
Remarks on result:
other: Calculated using log Kow = 4.0

Results: HPLC method

Details on results (HPLC method):
- Retention times of reference substances used for calibration: 5.8 minutes
- Details of fitted regression line (log k' vs. log Koc): not reported
- Graph of regression line attached: none
- Average retention data for test substance: no peak from test substance

Any other information on results incl. tables

The soil and sediment partition coefficient (log Koc) of PPVE was calculated using the equation from European Chemicals Bureau: Technical Guidance Document on Risk Assessment, Chapter 4, 'Predominantly hydrophobics". The log Koc is given as: Log koc = 0.81 log Pow + 0.10.

From the experimentally determined log Kow value of 4.0, the log Koc (soil and sediment partition coefficient) of PPVE is calculated to be 3.34.

Applicant's summary and conclusion

Conclusions:
The soil and sediment partition coefficient (log Koc) of PPVE was calculated to be 3.34 using the equation from European Chemicals Bureau: Technical Guidance Document on Risk Assessment, Chapter 4, 'Predominantly hydrophobics".
Executive summary:

The adsorption coefficient (Koc) of the test substance was attempted using OECD 121: "Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)” method.

The test substance was dissolved in methanol and 55/45 (v/v) methanol/0.01M phosphate buffer pH 7 at nominal concentrations of 102 - 775 mg/l. The adsorption coefficient (Koc) of the test substance was determined using high performance liquid chromatography with UV detection (HPLC-UV). None of the test substance solutions showed a response using the HPLC-UV method (data not shown). The method was checked by analysis of a reference solution of 4,4’-DDT (CAS# 50-29-3), which had a retention time of 5.8 minutes.

Based on the results, it was concluded that it was not possible to determine the Koc of the test substance using the HPLC method. Alternatively, the Koc and log Koc values were calculated using a quantitative structure activity relationship (QSAR).

The soil and sediment partition coefficient (log Koc) of PPVE was calculated using the equation from European Chemicals Bureau: Technical Guidance Document on Risk Assessment, Chapter 4, 'Predominantly hydrophobics". The log Koc is given as: Log koc = 0.81 log Pow + 0.10. From the experimentally determined log Kow value of 4.0, the log Koc (soil and sediment partition coefficient) of PPVE is calculated to be 3.34.

This data was calculated according to accepted Technical Quidance document, it is accepable with restriction and a key study.