Registration Dossier

Environmental fate & pathways

Adsorption / desorption

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
23 June 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
Version / remarks:
2001
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
soil
Radiolabelling:
no
Details on study design: HPLC method:
PKA CALCULATION
- Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International, USA)
- Calculated pKa values in the logarithm range of 1 - 14: none
- Based on the result, the mobile phase was not buffered.

HPLC CONDITIONS
- Instrument: Acquity UPLC system (Waters, USA)
- Detector: Acquity UPLC TUV (Waters)
- Column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 µm (Waters)
- Column temperature: 35°C ± 1°C
- Mobile phase: 55/45 (v/v) methanol/water
- Flow: 0.4 mL/min
- Injection volume: 5 μL
- UV detection: 210 nm

UNRETAINED SUBSTANCE
- Formamide; dissolved in 55/45 (v/v) methanol/water

REFERENCE SUBSTANCES
- Reference substances: see the table in the result section .
- Stock solutions of the reference substances at concentrations of approximately 1 g/L in methanol were used. The stock solutions were diluted to obtain an end solution of 55/45 (v/v) methanol/water.

TEST SUBSTANCE
A 1000 mg/L stock solution of the test item was prepared in methanol. In order to dissolve the test item the stock solution was ultrasonicated for 5 minutes. The stock solution was diluted to obtain an end solution of 55/45 (v/v) methanol/water. The final concentration of the test item solution was 10.0 mg/L.

PERFORMANCE OF THE TEST
- Solutions of the unretained substance, the reference substances and the test substance were injected in duplicate.
- Blank solution (55/45 (v/v) methanol/water) was analysed by single injection.

DATA HANDLING
- Dead time (t0) was calculated as the mean retention time of the unretained substance.
- Using the retention time (tr) the capacity factor (k') was calculated for each reference substance: k'= (tr-t0)/t0
- Log k’ values of the references substances were plotted against the known log Koc values.
- Linear regression analysis (least squares method) was used to calculate the regression line.
- Regression line: log k’ = 0.318 x log Koc – 0.778 (r= 0.98, n=16).
- Capacity factor (k') of the test substance was calculated from its mean retention time and the dead time.
- Log Koc of the test substance was calculated by substituting the log k’ in the regression line.
- The value of log Koc obtained from duplicate measurements was within ± 0.25 log unit.
Key result
Type:
log Koc
Value:
3.45 dimensionless
Temp.:
20 °C
Remarks on result:
other:
Remarks:
non-buffered mobile phase
Key result
Type:
Koc
Value:
2 800 dimensionless
Temp.:
20 °C
Details on results (HPLC method):
In the UPLC chromatogram of the 10 mg/L test substance solution, one test substance peak was observed.

Table: Results estimation method

 

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Koc

Koc

 

 

 

 

 

 

Formamide (t0)

0.760

0.798

0.779

 

 

 

 

 

 

 

 

Acetanilide

1.047

1.076

 

1.26

 

Monuron

1.295

1.335

 

1.99

 

2,5-Dichloroaniline

1.495

1.535

 

2.55

 

Naphthalene

1.737

1.791

 

2.75

 

Benzoic acid phenylester

2.056

2.108

 

2.87

 

Fenthion

2.791

2.871

 

3.31

 

Phenanthrene

3.089

3.164

 

4.09

 

4,4’-DDT

7.759

8.005

 

5.63

 

 

 

 

 

 

 

Test item

2.442

2.359

2.401

3.45

2.8E03

 

 

 

 

 

 

 

Remark: the log Koc values of the reference substances are mentioned in OECD TG 121 and are based on soil adsorption data.

Validity criteria fulfilled:
yes
Conclusions:
Using the HPLC estimation method using soil-adsorption-reference data, the log Koc for BMS-589154-01 was determined to be 3.45 (Koc= 2.8E03).

Executive summary:

The HPLC estimation method based on soil-adsorption reference data was used for the determination of the adsorption coefficient (Koc) of BMS-589154-01. The mobile phase was 55/45 (v/v) methanol/water. The stationary phase contained cyanopropyl chains chemically bonded to silica. The study was performed in accordance with EC C.9 and OECD 121 and in compliance with GLP.

 

The HPLC chromatogram of a 10 mg/L BMS-589154-01 solution showed one test substance peak. The log Koc value for the test substance at neutral pH has been determined as 3.45 (Koc= 2.8E03).

Description of key information

Using the HPLC estimation method using soil-adsorption-reference data, the log Koc for BMS-589154-01 was determined to be 3.45 (Koc= 2.8E03).

Key value for chemical safety assessment

Koc at 20 °C:
2 800

Additional information