Registration Dossier
Registration Dossier
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EC number: 816-455-0 | CAS number: 960253-23-0
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:
- May 11 to May 15 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- 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
- 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:
- 30 May, 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 35°C.
The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log KOC values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way. - Details on study design: HPLC method:
- Equipment and conditions:
HPLC equipment: Perkin Elmer (series 200) HPLC system comprising:
- a high pressure pump (module N2910102, serial number: 291N8051901A)
- an auto-sampler (module N2930100, serial number: 293N8052404A)
- a column compartment (module N2601581, serial number: OVH0802151130)
- a refractive index detector (series 200a, serial number 125829).
- Column: 250 mm x 4.6 mm, Nucleodur 100-5 CN-RP (Macherey-Nagel) serial number: E15120578, batch 34514011
- Mobile phase: methanol / water 55/45 (v/v)
- Flow rate: 1.0 ml/min.
- Column temperature: 35 °C
- Injected volume: 100 µl
Six substances were chosen as reference substances having log KOC ranging from 1.45 to 5.63. Formamide is used as an unretained compound for the determination of the "dead time" t0.
HPLC procedure:
A solution of the test substance was prepared (10.0 mg in 25 ml methanol/water 55/45 v/v).
After equilibration of the HPLC system, the calibration mixture was injected first, followed by the test chemical solution twice and the calibration mixture again. See Appendixes 3 and 4 for examples of the chromatograms obtained.
Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship
log KOC = f(log k)
were also calculated from the data obtained with the calibration mixture and, therewith, log KOC of the test substance was determined from its measured capacity factor. - Key result
- Type:
- log Koc
- Value:
- 4.6
- Temp.:
- 35 °C
- Remarks on result:
- other: The LogKoc value of 4.6 has been chosen as the relevant value as this is the value related to the main component (approx. 60%).
- Type:
- log Koc
- Value:
- >= 1 - <= 4.9 dimensionless
- Temp.:
- 35 °C
- Remarks on result:
- other: 5 peaks separated by HPLC : Peak 1 : LogKoc = 1.0 (22.1% relative area); Peak 2 : LogKoc = 4.6 (58.3% relative area); Peak 3 : LogKoc = 4.7 (3.7% relative area); Peak 4 : LogKoc = 4.7 (2.6% relative area); Peak 5 . LogKoc = 4.9 (13.3% relative area)
- Details on results (HPLC method):
- The chromatograms of GR-86-6599 show five peaks at average retention times of 3.78 minutes (22.1% peak area); 18.36 minutes (58.3% peak area); 19.03 minutes (3.7% peak area); 19.88 minutes (2.6% peak area) and 22.06 minutes (13.3% peak area), corresponding to adsorption coefficients (log value) of 1.0; 4.6; 4.7; 4.7 and 4.9.
Therefore: Adsorption coefficients (KOC) of GR-86-6599:
log KOC = 1.0; 4.6; 4.7; 4.7 and 4.9
5 peaks separated by HPLC : Peak 1 : LogKoc = 1.0 (22.1% relative area); Peak 2 : LogKoc = 4.6 (58.3% relative area); Peak 3 : LogKoc = 4.7 (3.7% relative area); Peak 4 : LogKoc = 4.7 (2.6% relative area); Peak 5 . LogKoc = 4.9 (13.3% relative area).
The LogKoc value of 4.6 has been chosen as the relevant value as this is the value related to the main component (approx. 60%). A LogKoc of 4.6 equals a Koc value of 39810.
N.B.: The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log KOC values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way. - Validity criteria fulfilled:
- yes
- Conclusions:
- The chromatograms of GR-86-6599 show five peaks at average retention times of 3.78 minutes (22.1% peak area); 18.36 minutes (58.3% peak area); 19.03 minutes (3.7% peak area); 19.88 minutes (2.6% peak area) and 22.06 minutes (13.3% peak area), corresponding to adsorption coefficients (log value) of 1.0; 4.6; 4.7; 4.7 and 4.9.
Therefore: Adsorption coefficients (KOC) of GR-86-6599:
log KOC = 1.0; 4.6; 4.7; 4.7 and 4.9
The LogKoc value of 4.6 has been chosen as the relevant value as this is the value related to the main component (approx. 60%). A LogKoc of 4.6 equals a Koc value of 39810. - Executive summary:
The Adsorption coefficient (KOC) on soil and on sewage sludge of GR-86-6599 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 121.
The result is:
Adsorption coefficients (KOC) of GR-86-6599:
log KOC= 1.0; 4.6; 4.7; 4.7 and 4.9
The LogKoc value of 4.6 has been chosen as the relevant value as this is the value related to the main component (approx. 60%). A LogKoc of 4.6 equals a Koc value of 39810.
Reference
Description of key information
The Adsorption coefficient (KOC) on soil and on sewage sludgeof GR-86-6599 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 121.
The result is:
Adsorption coefficients (KOC) of GR-86-6599:
log KOC= 1.0; 4.6 (main component); 4.7; 4.7 and 4.9
The LogKoc value of 4.6 has been chosen as the relevant value as this is the value related to the main component (approx. 60%). A LogKoc of 4.6 equals a Koc value of 39810.
Key value for chemical safety assessment
- Koc at 20 °C:
- 39 810
Additional information
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