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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
October 04, 2019 to November 11, 2019
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
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:
January 22, 2001
Deviations:
yes
Remarks:
The analysis of the solutions was repeated because the first time they could not be injected. The calibration mixture was prepared by adding directly exactly weighed portions of the ref subs to one flask containing eluent. (See details in results).
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:
May 30, 2008
Deviations:
yes
Remarks:
The analysis of the solutions was repeated because the first time they could not be injected. The calibration mixture was prepared by adding directly exactly weighed portions of the ref subs to one flask containing eluent. (See details in results).
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
other: HPLC approach (OECD 121)
Specific details on test material used for the study:
Batch No. VE00571754
Purity: 99.7% (sum of the isomers)
Expiration date: March 18, 2020
Radiolabelling:
no
Test temperature:
The determination was performed at 25 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log KOC values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Details on study design: HPLC method:
Principle of the method :

Reverse phase High Performance Liquid Chromatography on cyanopropyl-modified silica stationary phase, containing lipophilic and polar moieties, is used.

While passing through the column among with the mobile phase the test substance interacts with the stationary phase. As a result of the partitioning between the mobile and stationary phase the test substance is retarded. The dual-composition of the stationary phase having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as it is the case for organic matter in soil or sewage sludge matrices. This enables the rela-tionship between the retention time on the column and the adsorption coefficient on organic matter to be established.


Equipment and conditions :

HPLC equipment: Perkin Elmer (series 200) HPLC system comprising:
- a high pressure pump (module N2910102, serial number: 291N8051901A)
- an auto-sampler (module N2930100, serial number: 293N8052404A)
- a column compartment (module N2601581, serial number: OVH0802151130)
- a refractive index detector (series 200a, serial number 125829).


- Column : 250 mm x 4.6 mm, Nucleodur 100-5 CN-RP
(Macherey-Nagel)
serial number: E15120578, batch 34514011

- Mobile phase : methanol / water 55/45 (v/v)

- Flow rate : 1.0 ml/min.

- Column temperature : 25 °C

- Injected volume : 100 µL


Reference substances :

Six substances were chosen having log KOC ranging from 1.45 to 5.63. Formamide is used as an unretained compound for the determination of the "dead time" t0.

On the day of the determination a calibration mixture of these seven substances in methanol / water 55/45 (v/v) was prepared.

Reference Substance LogKoc
Formamide dead-time
2-Nitrobenzamide 1.45
Methyl Benzoate 1.80
Naphthalene 2.75
1,2,3-Trichlorobenzene 3.16
Phenanthrene 4.09
4,4'-DDT 5.63

HPLC procedure:
A solution of the test substance was prepared (10.0 mg in 10.0 ml methanol/water 55/45 v/v). After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice and the calibration mixture again.
Retention times tr were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Koc = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Koc of the test substance was determined from its measured capacity factor.
Type:
log Koc
Value:
4.1 dimensionless
Temp.:
25 °C
Matrix:
HPLC method
Remarks on result:
other: around 3.4% of relative peak area
Key result
Type:
log Koc
Value:
4.3 dimensionless
Temp.:
25 °C
Matrix:
HPLC method
Remarks on result:
other: around 83.8% of relative peak area
Type:
log Koc
Value:
4.6 dimensionless
Temp.:
25 °C
Matrix:
HPLC method
Remarks on result:
other: around 12.7% of relative peak area
Details on results (HPLC method):
Due to a technical failure on the chromatograph the solutions prepared on October 31 could not be injected as foreseen. The analysis was repeated on November 08, 2019. Only the results of this second, successful analysis are reported here in detail.
The calibration mixture was not prepared as foreseen in the study plan by mixing of individual solutions of the reference substances, but by directly adding exactly weighed portions of the reference substances to one flask containing the eluent. The validity of the study is not adversely affected.

The chromatograms of Sinodor CQ show three peaks at average rention times of 11.465 minutes, corresponding to an adsorption coefficient (log value) of 4.1 (around 3.4% relative peak area), 12.446 minutes, corresponding to an adsorption coefficient (log value) of 4.3 (around 83.8% relative peak area), and 15.147 minutes, corresponding to an adsorption coefficient (log value) of 4.6 (around 12.7% relative peak area).
Validity criteria fulfilled:
yes
Conclusions:
The chromatograms of Sinodor CQ show three peaks at average rention times of 11.465 minutes, corresponding to an adsorption coefficient (log value) of 4.1 (around 3.4% relative peak area), 12.446 minutes, corresponding to an adsorption coefficient (log value) of 4.3 (around 83.8% relative peak area), and 15.147 minutes, corresponding to an adsorption coefficient (log value) of 4.6 (around 12.7% relative peak area).

Therefore: Adsorption coefficients (Koc) of Sinodor CQ:

log Koc = 4.1, 4.3 (main peak) and 4.6

N.B. : The determination was performed at 25 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log KOC values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Executive summary:

The Adsorption coefficient (Koc) on soil and on sewage sludge of Sinodor CQ was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 121.

The result is:

Adsorption coefficients (Koc) of Sinodor CQ:

log Koc = 4.1, 4.3 (main peak) and 4.6

Description of key information

The chromatograms of Sinodor CQ show three peaks at average rention times of 11.465 minutes, corresponding to an adsorption coefficient (log value) of 4.1 (around 3.4% relative peak area), 12.446 minutes, corresponding to an adsorption coefficient (log value) of 4.3 (around 83.8% relative peak area), and 15.147 minutes, corresponding to an adsorption coefficient (log value) of 4.6 (around 12.7% relative peak area).


Therefore: Adsorption coefficients (Koc) of Sinodor CQ:


log Koc = 4.1, 4.3 (main peak) and 4.6


(N.B. : The determination was performed at 25 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log KOC values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way).


The determined Koc values suggests that SINODOR CQ will demonstrate strong sorption to soil and sediment, with negligible to slow migration potential to groundwater.

Key value for chemical safety assessment

Koc at 20 °C:
19 953

Additional information

The chromatograms of Sinodor CQ show three peaks at average rention times of 11.465 minutes, corresponding to an adsorption coefficient (log value) of 4.1 (around 3.4% relative peak area), 12.446 minutes, corresponding to an adsorption coefficient (log value) of 4.3 (around 83.8% relative peak area), and 15.147 minutes, corresponding to an adsorption coefficient (log value) of 4.6 (around 12.7% relative peak area).


Therefore: Adsorption coefficients (Koc) of Sinodor CQ:


log Koc = 4.1, 4.3 (main peak) and 4.6.


The determined Koc values suggests that SINODOR CQ will demonstrate strong sorption to soil and sediment, with negligible to slow migration potential to groundwater.