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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:
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:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC estimation method
Specific details on test material used for the study:
The test material was diluted with Methanol.
Appearance/Physical state: Brown opaqque viscous liquid
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)

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  1 18.946  8.26  0.917  >5.63  >5.63 
 Amine 1 18.980  8.27  0.918  >5.63  >5.63 
Amine 2   1 22.304  9.90  0.995  >5.63  >5.63 
 Amine 2  2  22.299 9.89  0.995  >5.63   >5.63
 Amine 3  23.243 10.4  1.02  >5.63   >5.63
 Amine 3  23.243 10.4  1.02  >5.63  >5.63 
 Amine 4 24.634  11.0  1.04  >5.63   >5.63
 Amine 4 24.641  11.0  1.04  >5.63  >5.63 
 Sulfonate 1  1 23.772   10.6 1.03  >5.63   >5.63
 Sulfonate 1  2  23.795 10.6  1.03  >5.63   >5.63
 Sunfonate 2  1  25.093  11.3  1.05  >5.63  >5.63
 Sulfonate 2  25.120 11.3   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:

The test material is greater than 4.27 x 105 (log10 Koc > 5.63) for the amine components and greater than 4.27 x 105 (log10 Koc > 5.63) for the sulfonate components, using the HPLC screening method, 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 test material is greater than 4.27 x 105 (log10 Koc > 5.63) for the amine components and greater than 4.27 x 105 (log10 Koc > 5.63) for the sulfonate components, using the HPLC screening method, 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.

Key value for chemical safety assessment

Additional information