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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:
The study was conducted between 02 January 2019 and 04 January 2019.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
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:
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
Type of method:
HPLC estimation method
Specific details on test material used for the study:
Identification: PG-RAW-0004
Appearance/physical state: clear, colorless liquid
Storage conditions: approximately 4 °C in the dark
Radiolabelling:
no
Test temperature:
30°C
Details on study design: HPLC method:
Performance of the Test
Preparation of sample solution
Test item (0.5505 g) was diluted to 50 mL with methanol, to give a concentration of 1.10 x 10^4 mg/L.

Preparation of dead time solution (ultraviolet detector solution)
The ultraviolet detector dead time was determined by measuring the retention time of thiourea (purity* >99%, 28 mg/L solution in mobile phase).

Preparation of dead time solution (refractive index detector solution)
The refractive index detector dead time was determined by measuring the retention time of thiourea (purity* >99%, 1.08 x 10^4 mg/L solution in mobile phase).

Preparation of reference standard solutions
Solutions of reference standards were prepared in methanol.

Determination of retention time
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System : Agilent Technologies 1200 Series, incorporating autosampler and workstation
Detector types : ultraviolet (UV) at 210 nm
refractive index (RI), positive polatrity at 35 °C
Column : XSelect HSS cyano 5 µm (150 x 4.6 mm id)
Column temperature : 30 ºC
Mobile phase : methanol: water (55:45 v/v)
pH of mobile phase : 7.0
Flow-rate : 1.0 mL/min
Injection volume : 10 µL
Key result
Type:
log Koc
Value:
>= 2.16 - <= 3.18 dimensionless
pH:
7
Temp.:
30 °C
Details on results (HPLC method):
Overall result:
Log10 Koc range: 2.16 to 3.18
Adsorption coefficient range: 144 to 1.50 x 10^3

Calibration

The retention times of the dead time and the retention times, capacity factors (k') and log10 Kocvalues for the reference standards are shown in the following tables:

Ultraviolet (UV) Detector Dead Time

Dead Time

Retention Time (mins)

Mean Retention Time (mins)

Injection 1

Injection 2

Thiourea

1.987

1.987

1.987

 

Refractive Index (RI) Detector Dead Time

Dead Time

Retention Time (mins)

Mean Retention Time (mins)

Injection 1

Injection 2

Thiourea

2.182

2.189

2.186

Calibration Standards Ultraviolet (UV) Detector Data

Standard

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Koc

Injection 1

Injection 2

Mean

Acetanilide

2.619

2.619

2.619

0.318

-0.498

1.25

Phenol

2.498

2.498

2.498

0.257

-0.591

1.32

Atrazine

3.523

3.528

3.525

0.774

-0.111

1.81

Isoproturon

3.727

3.722

3.724

0.874

-5.84 x 10-2

1.86

Triadimenol

4.806

4.806

4.806

1.418

0.152

2.40

Linuron

4.913

4.913

4.913

1.472

0.168

2.59

Calibration Standards Ultraviolet (UV) Detector Data – Continued

Standard

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Koc

Injection 1

Injection 2

Mean

Naphthalene

4.320

4.315

4.317

1.172

6.91 x 10-2

2.75

Endosulfan-diol

5.845

5.845

5.845

1.941

0.288

3.02

Fenthion

6.997

6.997

6.997

2.521

0.402

3.31

a-Endosulfan

9.519

9.514

9.517

3.789

0.578

4.09

Phenanthrene

7.604

7.604

7.604

2.826

0.451

4.09

Diclofop-methyl

10.588

10.374

10.481

4.274

0.631

4.20

DDT

19.101

19.145

19.123

8.622

0.936

5.63

Adsorption Coefficient

The retention times, capacity factor and log10Kocvalues determined for the test item sample solution are shown in the following table:

Test Item Data

Peak Number

Injection

Retention Time[1](mins)

Capacity Factor (k')

Log10k'

Log10Koc

Mean
Log10Koc

Adsorption Coefficient

1

1

3.881

0.853

-6.89 x 10-2

2.16

2.16

144

2

3.874

0.850

-7.07 x 10-2

2.16

2

1

4.982

1.41

0.148

2.83

2.83

677

2

4.975

1.40

0.147

2.83

3

1

5.803

1.82

0.260

3.18

3.18

1.50 x 103

2

5.796

1.82

0.259

3.17

 

Overall result:

Log10Kocrange:                               2.16 to 3.18

Adsorption coefficient range:            144 to 1.50 x 103

 

Percentage area normalization data is shown in the following table:

 

Test Item Percentage Area Normalization Data

Peak Number

Percentage Area Normalization

Injection 1

Injection 2

Mean

1

19.38

19.48

19.43

2

79.79

79.69

79.74

3

0.82

0.83

0.83

[1] The refractive index (RI) detector test item retention times were corrected for the internal volume of the HPLC system between the RI detector and the ultraviolet (UV) detector (0.199 mL, equivalent to 0.199 minutes) prior to calculation of the capacity factor values.

Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient (Koc) range of the test item has been determined to be 144 to 1.50 x 10^3, log10 Koc 2.16 to 3.18.
Executive summary:

The adsorption coefficient range of PG-RAW-0004 has been determined to be 144 to 1.50 x 103, log10 Koc 2.16 to 3.18. The determination was performed using an HPLC method designed to be compatible with Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.

Description of key information

The adsorption coefficient range of PG-RAW-0004 has been determined to be 144 to 1.50 x 103, log10 Koc 2.16 to 3.18. The determination was performed using an HPLC method designed to be compatible with Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.

Key value for chemical safety assessment

Koc at 20 °C:
1 500

Additional information