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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:
09 May 2018 - 18 May 2018
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))
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))
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
UK GLP
Type of method:
HPLC estimation method
Specific details on test material used for the study:
Identification: FAT 93503/B TE
Chemical name: Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl-ethyl-ester
CAS number: 40530-60-7
Appearance/Physical state: Red powder
Batch: 20131219 (China)
Purity: 100.3 % w/w (total organic constituents)
Expiry date: 20 January 2019
Storage conditions: Room temperature in the dark
Radiolabelling:
not specified
Details on study design: HPLC method:
HPLC System: Agilent Technologies 1100 Series
Detector type: variable wavelength (VW)
Column: XSelect HSS Cyano 5µm (150 x 4.6 mm id)
Column temperature: 30 °C
Mobile phase: Methanol: purified water (55:45 v/v)
pH of mobile phase: 5.6
Flow-rate: 1.0 mL/min
Injection volume: 10 µL
VW detector wavelength: 210 nm (standards and dead time); 254 nm (sample)


DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity* 99.6%) of a 757 mg/L solution in methanol: purified water (50:50 v/v).
Key result
Sample No.:
#1
Type:
log Koc
Value:
ca. 4.83 dimensionless
pH:
7
Remarks on result:
other: Rest of information not provided
Key result
Sample No.:
#1
Type:
Koc
Value:
ca. 66 800 dimensionless
pH:
7
Remarks on result:
other: Rest of information not provided
Details on results (HPLC method):
- Retention times of reference substances used for calibration:
- Details of fitted regression line (log k' vs. log Koc): first order correlation
Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient of FAT 93503/B has been determined to be 66800, (log10 Koc = 4.83).
Executive summary:

The adsorption coefficient for FAT 93503/B was determined by the HPLC screening method, using 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. The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used. As the test item has predicted dissociation constants of 9.2 (acid) and 3.2 (base) and therefore will be in a non-ionized form in the environmentally relevant range of 5.5 to 8.5. Therefore testing was performed at neutral pH with the test item in the non-ionized form. The slope of the calibration curve for the reference standards showed good first order correlation and the retention times between duplicate injections for each solution were consistent, the HPLC method was considered valid for the determination of adsorption coefficient. Based on the chromatographic data, the test item was considered to be stable during the test procedure. Based on the findings of the study, the adsorption coefficient of the test item has been determined to be 66800, log10 Koc 4.83. The results classify the test item as immobile.

Description of key information

The adsorption coefficient for FAT 93503/B was determined by the HPLC screening method, using a procedure designed to be compatible with EU Method C.19 and OECD Guideline 121. The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used. The test item has predicted dissociation constants of 9.2 (acid) and 3.2 (base) and therefore will be exisiting in a non-ionized form in the environmentally relevant range of pH 5.5 to 8.5. Therefore, testing was performed at neutral pH with the test item in the non-ionized form. The slope of the calibration curve for the reference standards showed good first order correlation and the retention times between duplicate injections for each solution were consistent, the HPLC method was considered valid for the determination of adsorption coefficient. Based on the chromatographic data, the test item was considered to be stable during the test procedure. Based on the findings of the study, the adsorption coefficient of the test item has been determined to be 66800, log10 Koc 4.83. The results classify the test item as immobile.

Key value for chemical safety assessment

Koc at 20 °C:
66 800

Additional information