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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:
This study was conducted between 06 October 2016 and 27 November 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
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:
EC No. 440/2008 30 May 2008
Deviations:
no
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:
22 January 2001
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Radiolabelling:
no
Test temperature:
30”C
Details on study design: HPLC method:
Performance of the Test

Preparation of sample solution
Test item (1.0000 g) was diluted to 20 mL with acetonitrile to give a concentration of 5.00 x 104 g/L.

Preparation of dead time solution
The dead time was determined by measuring the retention time of formamide (purity* 99.94%, 660 mg/L solution in acetonitrile: purified water [55:45 v/v]).

Preparation of reference standard solutions
Solutions of reference standards (see following table) were prepared in methanol.

Standard Purity (%)* Concentration (mg/L)
Acetanilide 99+ 109
Phenol 99.9 119
Atrazine 99.1 96
Isoproturon >98.0 98
Triadimenol 98.0 104
Linuron 99.7 102
Naphthalene 99 99
Endosulfan-diol 99.9 101
Fenthion 97.9 108
-Endosulfan 99.6 105
Phenanthrene 99.1 107
Diclofop-methyl ≥99.5 98
DDT 98.7 100

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 type : Ultraviolet (UV)
Column : Select HSS Cyano 5 m (150 x 4.6 mm id)
Column temperature : 30ºC
Mobile phase : acetonitrile: purified water (55:45 v/v)
pH of mobile phase : 7.4
Flow-rate : 1.0 mL/min
Injection volume : 10 µL
UV detector wavelength : dead time and reference standards: 210 nm
sample: 210 nm
Type:
Koc
Value:
ca. 5.02 - ca. 527 000 dimensionless
pH:
7.4
Temp.:
30 °C
Type:
log Koc
Value:
> 0.701 - < 5.63 dimensionless
pH:
7.4
Temp.:
30 °C
Key result
Type:
log Koc
Value:
1.3 dimensionless
pH:
7.4
Temp.:
30 °C
Remarks on result:
other:
Remarks:
Geometric mean value of four components measured using HPLC
Key result
Type:
Koc
Value:
27.9 dimensionless
Remarks on result:
other:
Remarks:
Geometric mean value of four components measured using HPLC
Details on results (HPLC method):
Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10 Koc values for the reference standards are shown in the two following tables:
Dead time Retention time (mins) Mean retention time (mins)
Injection 1 Injection 2
Formamide 1.832 1.832 1.832

Standard Retention time (mins) Mean retention time (mins) Capacity factor (k') Log10 k' Log10 Koc
Injection 1 Injection 2
Acetanilide 2.483 2.473 2.478 0.353 -0.452 1.25
Phenol 2.551 2.546 2.549 0.391 -0.408 1.32
Atrazine 3.013 2.998 3.005 0.641 -0.193 1.81
Isoproturon 3.095 3.081 3.088 0.686 -0.164 1.86
Triadimenol 3.324 3.304 3.314 0.809 -9.20 x 10-2 2.40
Linuron 3.586 3.562 3.574 0.951 -2.19 x 10-2 2.59
Naphthalene 3.805 3.776 3.790 1.07 2.90 x 10-2 2.75
Endosulfan-diol 3.533 3.503 3.518 0.920 -3.60 x 10-2 3.02
Fenthion 4.548 4.495 4.521 1.47 0.167 3.31
-Endosulfan 5.408 5.345 5.377 1.94 0.287 4.09
Diclofop-methyl 5.117 5.034 5.075 1.77 0.248 4.20
Phenanthrene 4.354 4.349 4.351 1.38 0.138 4.09
DDT 6.948 6.934 6.941 2.79 0.445 5.63

4.4.4.2       Adsorption Coefficient

The retention times, capacity factor and log10 Koc value determined for the sample are shown in the following table:

 Peak  Injection  Retention time (mins)  Capacity factor (k')  Log10 k'  Log10 Koc

 Mean

log10 Koc

 Adsorption Coefficient

 Mean % Area

 1

 1

 2.493

 0.361

 -0.443

 0.717

 0.701

 5.02

 37.8

 

 2

 2.483

 0.355

 -0.449

 0.685

 

 

 

 2

 1

 2.784

 0.520

 -0.284

 1.52

 1.51

 32.6

 45.1

 

 2

 2.775

 0.515

 -0.289

 1.50

 

 

 

 3

 1

 3.066

 0.674

 -0.172

 2.10

 2.07

 116

 9.82

 

 2

 3.032

 0.655

 -0.184

 2.04

 

 

 

 4

 1

 8.207

 3.48

 0.542

 5.72

 >5.63

 >5.27 x 105

 7.31

 

 2

 8.100

 3.42

 0.534

 5.68

 

 

 

Range log10 Koc:              0.701 to >5.63

Range of Adsorption coefficient:       5.02 to > 5.27 x 105

Area normalisation: 92.7% area has log10Koc 0.701 to 2.07, adsorption coefficient 5.02 to 116

Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient (Koc) of the test item has been determined to be a range from 5.02 to greater than 5.27 x 105, log10 Koc from 0.701 to greater than 5.63. 92.7% area has log10Koc 0.701 to 2.07, adsorption coefficient 5.02 to 116.
Executive summary:

The general physico-chemical properties of 9-[2-(2-METHOXYETHOXY)ETHOXY]-9-[3(OXIRANYLMETHOXY)PROPYL]-2,5,8,10,13,16-HEXAOXA-9-SILAHEPTADECANE have been determined.  

Adsorption Coefficient.

5.02 to greater than 5.27 x 105, log10 Koc 0.701 to greater than 5.63, 92.7% area has log10Koc 0.701 to 2.07, adsorption coefficient 5.02 to 116, using the HPLC screening method, designed to be compatible with Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001 and Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Description of key information

The adsorption coefficient (Koc) of the test item has been determined to be a range from 5.02 to greater than 5.27 x 105, log10 Koc from 0.701 to greater than 5.63. Based on HPLC 92.7% area has log10Koc 0.701 to 2.07, and therefore following area normalisation the adsorption coefficient was considered to be 5.02 to 116. Based on the guideline criteria 92.7% of the substance (area of 3 out of 4 HPLC peaks) are considered to be highly to very highly mobile, 7.3% (area of 1 out of 4 HPLC peaks) was determined to be immobile. The individual absorption coefficients for the three peaks within the high to highly mobile criteria were LogKoc: 0.701, 1.51 and 2.07, Koc: 5.02, 32.6 and 116. For risk assessment purposes a conservative approach is used and the geometric mean LogKoc and Koc of the mobile components has been calculated.

Key value for chemical safety assessment

Koc at 20 °C:
27.9

Additional information

[LogKoc: 1.3]