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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
14.3.2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Comparable guideline study, tested with the source substance Ethyl centralite. According to the ECHA guidance “Practical guide 6" the reliability was changed to RL2 to reflect the fact that this study was conducted on a read-across substance.
Justification for type of information:
REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
See attached document in IUCLID Section 13 - Read across.pdf

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
See attached document in IUCLID Section 13 - Read across.pdf

3. ANALOGUE APPROACH JUSTIFICATION
[Summarise here based on available experimental data how these results verify that the read-across is justified]

!!! DOPLNIT podle Read across dokument

4. DATA MATRIX
See attached document in IUCLID Section 13 - Table 1: Data matrix
Reason / purpose for cross-reference:
read-across source
Reason / purpose for cross-reference:
read-across: supporting information
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))
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Test temperature:
25°C
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: Liquid chromatograph
- Type: Shimadzu LC-2012C(HT)
- Type, material and dimension of analytical (guard) column: Eclipse XDB-CN, 150x4.6 mm, 5µm
- Detection system: UV/VIS

MOBILE PHASES
- Type: MeOH with deionized water
- Experiments with additives carried out on separate columns: no
- pH: 6.2
- Solutes for dissolving test and reference substances: methanol

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column

REFERENCE SUBSTANCES
- Identity: 2,5-Dichloroaniline 99.7%, Acetanilide ≥98%, Atrazine 98.8%, Linuron 99.9%, Monuron 99.9%, Phenyl benzoate ≥98%, Phenanthrene ≥97%,

DETERMINATION OF RETENTION TIMES
- Intervals of calibration: Soil - log Koc(x): 1.25 - 4.09, Sewage sludge - log Koc (x): 1.46 - 4.35

REPETITIONS
- Number of determinations: 4

- Injection volume: 10 µL

EVALUATION
The values of log k of individual repetitions are calculated from the individual retention times tR and the average value of t0. The mean of log k is calculated from the individual values of log k. The mean of log KOC of the sample as well as its uncertainty is calculated directly from the mean of log k of the sample and the calibration line.
Type:
log Koc
Remarks:
soil
Value:
2.3 - 2.86
Temp.:
25 °C
Type:
log Koc
Remarks:
sludge
Value:
1.88 - 3.12
Temp.:
25 °C
Details on results (HPLC method):
- Retention times of reference substances used for calibration:
2,5-Dichloroaniline - 3.214 min
Acetanilide - 2.193 min (used only for soils)
Atrazine - 2.564 min
Linuron - 3.906 min
Monuron - 2.668 min
Phenyl benzoate - 3.924 min
Phenanthrene - 6.323 min

- Details of fitted regression line (log k' vs. log Koc): see table 5 and table 8

- Average retention data for test substance: 3.405 min

Table 5: Estimations of parameters of linear regression curve

 

Parameter

Estimation

Standard deviation

Lower side of confidence interval

Upper side of confidence interval

Intercept (b)

-0.4470

0.0539

-0.5856

-0.3084

Slope (a)

0.2645

0.0208

0.2110

0.3180

Equation of linear regression curve:

logk=a. logKoc+b

logk=0.2645. logKOC- 0.4470

Statistic parameters:

Correlation coefficient

R

= 0.9849

Coefficient of determination

R2

= 0.9700

Residual dispersion

= 0.0022

Number of levels

n

= 7

Number of repetitions

m

= 4

Student’s t-distribution

= 2.571

Table 8:Estimations of parameters of linear regression curve

Parameter

Estimation

Standard deviation

Lower side of confidence interval

Upper side of confidence interval

Intercept (b)

-0.2499

0.0779

-0.4662

-0.0337

Slope (a)

0.1942

0.0280

0.1164

0.2720

Equation of linear regression curve:

logk=a. log KOC+b

logk=0.1942. logKOC– 0.2499

Statistic parameters:

Correlation coefficient

R

=0.9608

Coefficient of determination

R2

=0.9231

Residual dispersion

= 0.0045

Number of levels

n

= 6

Number of repetitions

m

= 4

Student’s t-distribution

= 2.776

Validity criteria fulfilled:
yes
Conclusions:
The study gives the following values for the estimation of adsorption coefficient (KOC) on soil and sewage sludge for Centralit:
Estimation of the adsorption coefficient (KOC) on soil and sewage sludge at given pH of mobile phase and set temperature:

log Koc (soil) = 2.58 +/- 0.28 (pH = 6.2, 25°C)
log Koc (sludge) = 2.50 +/- 0.62 (pH = 6.2, 25°C)
Executive summary:

The adsorption coefficient of test substance, Centralit, on soil and on sewage sludge was estimated. The HPLC method with reference compounds was used.

The test was performed according to the Method C.19, Estimation of the adsorption coefficient (KOC) on soil and sewage sludge using high performance liquid chromatography (HPLC), Council Regulation (EC) No 440/2008, Published in O.J.L 142, 2008.

 

The study gives the following values for the estimation of adsorption coefficient (Koc) on soil and sewage sludge for Centralit:

Estimation of the adsorption coefficient (KOC) on soil and sewage sludge at given pH of mobile phase and set temperature:

 

Log Koc (soil) = 2.58 +/- 0.28 (pH = 6.2, 25°C)

log Koc (sludge) = 2.50 +/- 0.62 (pH = 6.2, 25°C)

Description of key information

The adsorption coefficient of the read-across test substance Ethyl centralite, on soil and on sewage sludge was estimated. The HPLC method with reference compounds was used. The test was performed according to the Method C.19, Estimation of the adsorption coefficient (KOC) on soil and sewage sludge using high performance liquid chromatography (HPLC), Council Regulation (EC) No 440/2008, Published in O.J.L 142, 2008.

The study gives the following values for the estimation of adsorption coefficient (KOC) on soil and sewage sludge for the read-across test substance Ethyl centralite.

Estimation of the adsorption coefficient (KOC) on soil and sewage sludge at given pH of mobile phase and set temperature:

log Koc (soil) = 2.58 ± 0.28 (pH = 6.2, 25°C)

log Koc (sludge) = 2.50 ± 0.62 (pH = 6.2, 25°C)

Key value for chemical safety assessment

Additional information