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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:
19 May 2017 - 20 July 2017
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))
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:
2001
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC estimation method
Remarks:
The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used
Details on study design: HPLC method:
PREPARATION OF SAMPLE SOLUTION
Test material (0.0657g) was diluted to 100 mL with methanol (MeOH) to give a concentration of 0.657g/L. This solution was diluted with MeOH to give a solution with a concentration of 98.6 mg/L.

PREPARATION OF DEAD TIME SOLUTION
The dead time was determined by measring the retention time of formamide of a 1490 mg/L solution in MeOH:1% aetic acid in water (55:45 v/v)

PREPARATION OF REFERENCE STANDARD SOLUTIONS
Solutions of reference stndards were prepared in MeOH

DETERMINATION OF RETENTION TIME
- HPLC System: Agilent Technologies 1200 Series
- Detector Type: Variable wavelength; mass selective
- Column: Luna 5µm CN (150 x 4.6 mm id)
- Mobile phase: 3.52
- Flow-rate: 1 mL/min
- Injection volume: 10µL
- VW detector wavelength: 210 nm
- MS detector parameters:
Interface: electrospray
Polarity: positive (amine analysis), negative (sulfonate analysis)
Fragmentor voltage: 70 V
Mode and ion masses: SIM: 268, 270 m/z (amine analysis)
SIM:297:,311,325,339 m/z (sulfonate analysis)
Drying gas: 12 L/min at 350°C
Nebulizer pressure: 35 psi
Capillary voltage: 3000V


EVALUATION
- Calculation of capacity factors k':
k' = t(r) - t(o) / t(o)
k' = capacity factor
t(r) = retention time (min)
t(o) = dead time (min)

- Determination of the log Koc value:
Log10 K(oc) = Log(10) k' - A / B
Where:
K(oc) = adsorption coefficient
k' = capacity factor
A = intercept of the calibration curve
B = slope of the calibration curve
Sample No.:
#1
Type:
log Koc
Value:
> 5.63
Sample No.:
#2
Type:
log Koc
Value:
> 5.63
Sample No.:
#3
Type:
log Koc
Value:
> 5.63
Sample No.:
#4
Type:
log Koc
Value:
> 5.63
Sample No.:
#5
Type:
log Koc
Value:
> 5.63
Details on results (HPLC method):
Overall log10 Koc: greater than 5.63 (amines and sulfonate components)
Adsorption coefficient: greater than 4.27 x 10^5 (amines and sulfonate components)
Transformation products:
no

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  Log10Koc
 Amine 1 118.946 8.26 0.917 >5.63 >5.63 
 Amine 12 18.980 8.27 0.918 >5.63 >5.63 
Amine 2  122.304 9.90 0.995 >5.63 >5.63 
 Amine 2 2 22.2999.89 0.995 >5.63  >5.63
 Amine 31  23.24310.4 1.02 >5.63  >5.63
 Amine 32  23.24310.4 1.02 >5.63 >5.63 
 Amine 41 24.634 11.0 1.04 >5.63  >5.63
 Amine 42 24.641 11.0 1.04 >5.63 >5.63 
 Sulfonate 1 123.772  10.61.03 >5.63  >5.63
 Sulfonate 1 2 23.79510.6 1.03 >5.63  >5.63
 Sulfonate 2 1 25.093 11.3 1.05 >5.63 >5.63
 Sulfonate 22  25.12011.3  1.05 >5.63 >5.63
       
Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient of the test material was determined to be greater than 4.27 x 10^5 (Log(10) K(10) >5.63 for the amine and sulfonate components.
Executive summary:

An experimental study was carried out to determine the adsorption coefficient (Koc) of the registered substance (EC =953-378-2) according the HPLC Method (OECD 121) and GLP. The test item is an UVCB, therefore the Koc values are estimated for each main constituant. The Koc is greater than > 4.27 x 105 (log10 Koc > 5.63) for both amine and sulfonate components, using the HPLC screening method in compliance with Method 121 of the OECD Guidelines.

Description of key information

An experimental study was carried out to determine the adsorption coefficient (Koc) of the registered substance according the HPLC Method (OECD 121) and GLP. The substance is an UVCB, therefore the Koc values are estimated for each main representative constituent. The Koc is greater than > 4.27 x 105 (log10 Koc > 5.63) for both amine and sulfonate components.

Key value for chemical safety assessment

Koc at 20 °C:
427 000

Additional information