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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:
September - October 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
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))
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Specific details on test material used for the study:
Test Item Name: MIRAMER M1142
Chemical Name: Biphenyl-2-ol, ethoxylated, esters with acrylic acid
CAS Number: 72009-86-0
EC Number: 500-247-9
Lot No: 170507M97
Receipt Date: 17 July 2017
Reanalysis Date: 06 May 2018
Description: Clear, colourless liquid
Storage Conditions: Ambient, protected from direct sunlight
Purity: 100%
Radiolabelling:
no
Test temperature:
25 degree celcius
Details on study design: HPLC method:
The following conditions were established using a Waters Alliance 2695 liquid HPLC and
Waters 2487 Dual λ UV detector:
Column: Zorbax SB-CN, 75 x 4.6 mm, 3.5 μm
Mobile Phase: 55/45 (v/v) Methanol/Milli-Q water (pH of Milli-Q water
determined to be 5.76)
Flow Rate: 1.0 mL/min
Run Time: 20 min
Detection: UV at 210 nm
Column Temperature: 25°C (Actual recorded temperature = 24.8°C)
Injection Volume: 10 μL (test mixes and standard mix)
1 μL (stock standard and stock test item solutions)
Data Handling: Thermo LabSystems Atlas 2002, Release 1

Duplicate injections (1 μL) of each stock reference compound and individual injections of
each stock test item solutions were performed. Single injections (50 μL) of the mixed
reference compounds and both mixed test item solutions A and B were performed employing
the conditions described above.
The adsorption coefficient was therefore calculated once for each of the two test item
solutions.
Analytical monitoring:
not specified
Details on test conditions:
- Experimental Conditions for Chromatography:
The following conditions were established using a Waters Alliance 2695 liquid HPLC and
Waters 2487 Dual λ UV detector:
Column: Zorbax SB-CN, 75 x 4.6 mm, 3.5 μm
Mobile Phase: 55/45 (v/v) Methanol/Milli-Q water (pH of Milli-Q water
determined to be 5.76)
Flow Rate: 1.0 mL/min
Run Time: 20 min
Detection: UV at 210 nm
Column Temperature: 25°C (Actual recorded temperature = 24.8°C)
Injection Volume: 10 μL (test mixes and standard mix)
1 μL (stock standard and stock test item solutions)
Data Handling: Thermo LabSystems Atlas 2002, Release 1

- Analysis of Samples:
Duplicate injections (1 μL) of each stock reference compound and individual injections of
each stock test item solutions were performed. Single injections (50 μL) of the mixed
reference compounds and both mixed test item solutions A and B were performed employing
the conditions described above.
Key result
Sample No.:
#1
Type:
other: Log10Koc
Value:
>= 2.7 - <= 4.67 dimensionless
Temp.:
25 °C
Matrix:
silica matrix
Remarks on result:
not measured/tested
Details on results (HPLC method):
Mean Retention Time (min):

Compound (min)

Formamide 0.898
Acetanilide 1.253
3,5-Dinitrobenzamide 1.340
Methyl Benzoate 1.629
Naphthalene 2.456
1,2,3-Trichlorobenzene 3.264
Phenanthrene 5.576
4,4'-DDT 17.548

Equation of calibration plot: y = 0.3911x – 0.9093
Correlation coefficient of calibration plot = 0.9714

Slope of line meets column function acceptance in OECD 121 where:
If Log KOC = 3.0; log k' = 0.264
If Log KOC = 2.0; log k' = -0.127

Capacity Factor (k’) and Adsorption Coefficient (KOC) Values for

Mixed Reference Compound Solutions:

Compound

Retention Time

(min)

Mean

Retention Time

(min)

Capacity Factor

k’

Log10 k’

Log10 KOC*

Formamide

Acetanilide

3,5-Dinitrobenzamide

Methyl Benzoate

Naphthalene

1,2,3-Trichlorobenzene

Phenanthrene

4,4'-DDT

0.898, 0.898

1.253, 1.253

1.340, 1.340

1.629, 1.629

2.456, 2.456

3.264, 3.264

5.576, 5.576

17.540, 17.556

0.898

1.253

1.340

1.629

2.456

3.264

5.576

17.548

0.000

0.395

0.492

0.814

1.735

2.635

5.209

18.541

Un-retained

-0.403

-0.308

-0.089

0.239

0.421

0.717

1.268

Un-retained

1.25

2.31

1.80

2.75

3.16

4.09

5.63

* Reference Compound Literature values taken from OECD Guideline 121

Equation of calibration plot: y = 0.3911x – 0.9093

Correlation coefficient of calibration plot = 0.9714

Slope of line meets column function acceptance in OECD 121 where:

If Log KOC = 3.0; log k' = 0.264

If Log KOC = 2.0; log k' = -0.127

 

Determination of Adsorption Coefficient (KOC) Values for MIRAMER

M1142 Test Item Solution Replicate A

Test Item Component

Mean

Proportion of

Total Area

(%)

Mean

Log10 KOC

Range

(±)

KOC

Range

(±)

MIRAMER M1142 Peak 1

MIRAMER M1142 Peak 2

MIRAMER M1142 Peak 3

MIRAMER M1142 Peak 4

MIRAMER M1142 Peak 5

0.9

1.8

95.3

1.4

0.7

2.71

2.76

3.86

4.07

4.67

0.01

0.00

0.01

0.00

0.00

507.1

573.1

7318

11870

46932

4.7

2.8

16

14

16

* Values calculated from equation of the line presented in Table 1

Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient of duplicate determinations of MIRAMER M1142 test item was successfully determined, according to OECD test guideline 121 HPLC estimation method.
Results were as following:
Log10Koc= 2.71 to 4.67; range =±0.01 (major peak = 3.86; 95.3% by peak area)
Koc= 507 to 46932; range =±16 (major peak = 7318; 95.3% by peak area)
Executive summary:

The adsorption coefficient of duplicate determinations of MIRAMER M1142 test item was successfully determined, according to OECD test guideline 121 HPLC estimation method.

Results were as following:

Log10Koc= 2.71 to 4.67; range =±0.01 (major peak = 3.86; 95.3% by peak area)

Koc= 507 to 46932; range =±16 (major peak = 7318; 95.3% by peak area)

Description of key information

The adsorption coefficient of duplicate determinations of MIRAMER M1142 test item was

successfully determined, according to OECD test guideline 121 HPLC estimation method.

The results were as followed:

Log10Koc= 2.71 to 4.67; range =±0.01 (major peak = 3.86; 95.3% by peak area)

Koc= 507 to 46932; range =±16 (major peak = 7318; 95.3% by peak area)

Key value for chemical safety assessment

Koc at 20 °C:
7 244

Additional information