Registration Dossier
Registration Dossier
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EC number: 654-333-7 | CAS number: 5471-90-9
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:
- 2020
- 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))
- Version / remarks:
- March 04, 2016
- 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:
- January 22, 2001
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- sewage sludge
- Radiolabelling:
- no
- Details on study design: HPLC method:
- Instrument Acquity UPLC system
(Waters, Milford, MA, USA)
Detector Acquity UPLC TUV detector (Waters)
Column Acquity UPLC HSS Cyano,
100 mm 2.1 mm i.d., dp = 1.8 µm (Waters)
Column temperature 35°C 1°C
Injection volume 5 µL
Mobile phase for study at pH 7 55/45 (v/v) methanol/buffer pH 7
Mobile phase for study at pH 2 55/45 (v/v) methanol/water pH 2
Flow 0.4 mL/min
UV detection 210 nm
Reference substance and test item solutions were injected in duplicate. Blank solutions were analyzed by single injection.
* Preparation of Solutions pH 7
Reference Substances
Reference substance Purity CAS number Supplier log Koc
Acetanilide > 99.9% 103-84-4 Sigma-Aldrich 1.26
Monuron 99.9% 150-68-5 Sigma-Aldrich 1.99
2,5-Dichloroaniline 99.9% 95-82-9 Sigma-Aldrich 2.55
Naphthalene 100% 91-20-3 Sigma-Aldrich 2.75
Benzoic acid phenylester > 99.9% 93-99-2 Sigma-Aldrich 2.87
Fenthion 98.6% 55-38-9 Sigma-Aldrich 3.31
log Koc values according to the OECD 121 guideline based on soil adsorption data.
* Preparation of Solutions pH 2
Reference Substances
Reference substance Purity CAS number Supplier log Koc 1
Acetanilide > 99.9% 103-84-4 Sigma-Aldrich 1.26
Monuron 99.9% 150-68-5 Sigma-Aldrich 1.99
Naphthalene 100% 91-20-3 Sigma-Aldrich 2.75
Benzoic acid phenylester > 99.9% 93-99-2 Sigma-Aldrich 2.87
Fenthion 98.6% 55-38-9 Sigma-Aldrich 3.31
Phenanthrene 98.5% 85-01-8 Acros Organics 4.09
4,4’-DDT 98.7% 50-29-3 Sigma-Aldrich 5.63
Log Koc values according to the OECD 121 guideline based on soil adsorption data. - Type:
- log Koc
- Value:
- 1.39 dimensionless
- pH:
- 7
- Remarks on result:
- other: Test item – peak 1 (96.1 area under curve)
- Type:
- log Koc
- Value:
- 2.82 dimensionless
- pH:
- 7
- Remarks on result:
- other: Test item – peak 2 (3.9% area under curve)
- Type:
- log Koc
- Value:
- 1.24 dimensionless
- pH:
- 2
- Remarks on result:
- other: Test item – peak 1 (96.4% area under curve)
- Type:
- log Koc
- Value:
- 3.58 dimensionless
- pH:
- 2
- Remarks on result:
- other: Test item – peak 2 (3.6% area under curve)
- Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of CH03951.
The Koc and log Koc values of the test item at neutral pH and pH 2 were:
neutral pH pH 2
Koc log Koc Peak area (%) Koc log Koc Peak area (%)
Test item – peak 1 2.5 * 10^1 1.39 96.1 1.7 * 10^1 1.24 96.4
Test item – peak 2 6.5 * 10^2 2.82 3.9 3.8 * 10^3 3.58 3.6
Reference
pH 7
In the chromatogram of the test solution, one major peak and one small test item peaks were observed.
The results of the HPLC method are given in Table 10.
The equation of the regression line was: log k’ = 0.418´log Koc– 1.049 (r = 0.98, n = 12).
Table 10 pH 7: Koc of the Test Item
Substance |
Retention time (min) |
log Koc |
Koc |
Peak area |
||
tr,1 |
tr,2 |
mean |
||||
Formamide (t0) |
0.721 |
0.720 |
0.721 |
|
|
|
Acetanilide |
0.948 |
0.948 |
0.948 |
1.26 |
|
|
Monuron |
1.172 |
1.174 |
1.173 |
1.99 |
|
|
2,5-Dichloroaniline |
1.325 |
1.328 |
1.327 |
2.55 |
|
|
Naphthalene |
1.557 |
1.556 |
1.557 |
2.75 |
|
|
Benzoic acid phenylester |
1.862 |
1.864 |
1.863 |
2.87 |
|
|
Fenthion |
2.407 |
2.421 |
2.414 |
3.31 |
|
|
Test item – peak 1 |
0.966 |
0.967 |
0.967 |
1.39 |
2.5´101 |
96.1 |
Test item – peak 2 |
1.682 |
1.690 |
1.686 |
2.82 |
6.5´102 |
3.9 |
pH 2
In the chromatogram of the test solution, one major peak and one small test item peak were observed.
The results of the HPLC method are given in Table 11.
The equation of the regression line was: log k’ = 0.319´log Koc– 0.815 (r = 0.98, n = 14).
Table 11 pH 2: Koc of the Test Item
Substance |
Retention time (min) |
log Koc |
Koc |
Peak area |
||
tr,1 |
tr,2 |
mean |
||||
Formamide (t0) |
0.727 |
0.726 |
0.727 |
|
|
|
Acetanilide |
0.956 |
0.957 |
0.957 |
1.26 |
|
|
Monuron |
1.176 |
1.175 |
1.176 |
1.99 |
|
|
Naphthalene |
1.561 |
1.565 |
1.563 |
2.75 |
|
|
Benzoic acid phenylester |
1.834 |
1.834 |
1.834 |
2.87 |
|
|
Fenthion |
2.479 |
2.479 |
2.479 |
3.31 |
|
|
Phenanthrene |
2.739 |
2.741 |
2.740 |
4.09 |
|
|
4,4’-DDT |
6.759 |
6.755 |
6.757 |
5.63 |
|
|
Test item – peak 1 |
1.003 |
1.004 |
1.004 |
1.24 |
1.7´101 |
96.4 |
Test item – peak 2 |
2.263 |
2.267 |
2.265 |
3.58 |
3.8´103 |
3.6 |
Description of key information
A Koc of 24.55 L/kg (log Koc = 1.39) at neutral pH was experimentally determined.
Key value for chemical safety assessment
- Koc at 20 °C:
- 24.55
Additional information
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