Registration Dossier
Registration Dossier
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EC number: 701-164-2 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- 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))
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- 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 log Koc: greater than 5.63 (amines and sulfonate components)
Adsorption coefficient: greater than 4.27 x 10^5 (amines and sulfonate components) - 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) Koc >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, 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.
Reference
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 | 2 | 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 | 1 | 23.243 | 10.4 | 1.02 | >5.63 | >5.63 |
| Amine 3 | 2 | 23.243 | 10.4 | 1.02 | >5.63 | >5.63 |
| Amine 4 | 1 | 24.634 | 11.0 | 1.04 | >5.63 | >5.63 |
| Amine 4 | 2 | 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 | 2 | 25.120 | 11.3 | 1.05 | >5.63 | >5.63 |
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 constituant. The Koc is greater than > 4.27 x 105 (log Koc > 5.63) for both amine and sulfonate components.
Key value for chemical safety assessment
- Koc at 20 °C:
- 427 000
Additional information
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