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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:
March - May 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
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))
Deviations:
no
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))
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Specific details on test material used for the study:
Test Item Name: MIRAMER M170
Chemical Name: Ethoxy ethoxy ethyl acrylate
CAS No. 7328-17-8
Lot No: 151210177
Description: Clear colorless liquid
Storage Conditions: Room temperature, in the dark
Purity: 95.49%
Radiolabelling:
no
Test temperature:
40 degree celcius
Details on study design: HPLC method:
The determination was performed using the HPLC screening method, a procedure 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.
A high performance liquid chromatograph (HPLC) and a commercially available cyanopropyl reverse phase HPLC column, containing lipophilic and polar moieties, were used for the test.

The dead time was determined by measuring the retention time of formamide (purity*99.94%, 609 mg/L solution in 55:45 (v/v) methanol:purified water).

Test item (0.1007 g) was diluted to 100 mL with methanol. The solution was then diluted by a factor of 2 with methanol to give a concentration of 504 mg/L.

The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System : Agilent Technologies 1100 series, incorporating autosampler and workstation
Column : Waters XSelect HSS CN, 5 μm, 100 Å (150 x 4.6 mm)
Column temperature : 40 ºC
Mobile phase : 55:45 (v/v) methanol:purified water pH of mobile phase : 6.40
Flow rate : 1.0 mL/min
Injection volume : 10 μL
UV detector wavelength : 210 nm
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:
log Koc
Value:
< 1.25 dimensionless
pH:
6.4
Temp.:
40 °C
Matrix:
Waters XSelect HSS CN, 5 μm, 100 Å (150 x 4.6 mm); Particle Substrate Silica
Remarks on result:
not measured/tested
Details on results (HPLC method):



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

Mean retention time, k' factor, adsorption coefficients for reference compounds

Reference

Mean Retention Time (min)

Capacity Factor (k')

Log10 k'

Log10 Koc*

Acetanilide

2.604

0.325

-0.488

1.25

Phenol

2.512

0.278

-0.556

1.32

Atrazine

3.506

0.784

-0.106

1.81

Isoproturon

3.71

0.888

-5.18E-02

1.86

Triadimenol

4.886

1.49

0.172

2.4

Linuron

4.985

1.54

0.187

2.59

Naphthalene

4.407

1.24

9.42E-02

2.75

Endosulfan-diol

6.13

2.12

0.326

3.02

Fenthion

7.058

2.59

0.413

3.31

Phenanthrene

7.833

2.99

0.475

4.09

a-Endosulfan

10.058

4.12

0.615

4.09

Diclofop-methyl

10.639

4.41

0.645

4.2

DDT

20.338

9.35

0.971

5.63

* Reference Compound Literature values taken from OECD Guideline 121

 

Determination of Adsorption Coefficient (KOC) Values for MIRAMER

M170

Injection

Retention Time (min)

Capacity Factor (k')

log10(k')

log10(KoC)

Mean log10(Koc)

Adsorption coefficient

1

2.551

0.298

-0.526

<1.25

<1.25

<17.8

2

2.556

0.3

-0.522

<1.25

Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient (Koc) of M170 has been determined to be less than 17.8, log10 Koc less than 1.25.
Executive summary:

The calibration curve for the reference items showed good first order correlation (R = 0.9646) and the retention times between duplicate injections for each solution were consistent, indicating that the HPLC method was valid for the estimation of the adsorption coefficient of the test item. pH may have a significant influence on sorption behavior, in particular for ionizable substances. However, since the test item does not present any dissociating functional groups within the environmentally relevant pH range of 5.5 to 7.5, no manipulation of the mobile phase pH was necessary to ensure testing of the test item in its unionized form. Therefore, only a single evaluation with the mobile phase at approximately neutral pH was performed.

The adsorption coefficient (Koc) of the test item has been determined to be less than 17.8, log10 Koc less than 1.25. The mobility of the test item can therefore be classified as very high.

Description of key information

The adsorption coefficient (Koc) of the test item has been determined to be less than 17.8, log10 Koc less than 1.25. The mobility of the test item can therefore be classified as very high.

Key value for chemical safety assessment

Koc at 20 °C:
17.8

Additional information