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EC number: 944-623-4 | 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:
- This study was conducted between 04 April 2016 and 23 January 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))
- Version / remarks:
- EC No. 440/2008 30 May 2008
- 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))
- Version / remarks:
- 220January 2001
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other:
- Specific details on test material used for the study:
- Identification: FAT 92504/C
Appearance/Physical state: Blue solid
Batch: BOP 01-15
Purity: 86.4 %
Expiry date: 18 November 2020
Storage conditions: Approximately 4 °C, in the dark - Radiolabelling:
- no
- Test temperature:
- 30 ”C
- Details on study design: HPLC method:
- Performance of the Test
Preparation of sample solution
Test item (0.1025 g) was diluted to 100 mL with methanol to give a concentration of 1.0 g/L.
Preparation of dead time solution
The dead time was determined by measuring the retention time of formamide (purity*: 99.94%, 637 mg/L solution in mobile phase).
Preparation of reference standard solutions
Solutions of reference standards (see following table) were prepared in methanol.
Standard Purity (%)* Concentration (mg/L)
Acetanilide 99+ 120
Phenol 99.9 143
Atrazine 99.1 107
Isoproturon > 98.0 163
Triadimenol 98.0 106
Linuron 99.7 100
Naphthalene 99+ 114
Endosulfan-diol 99.9 160
Fenthion 97.9 152
Endosulfan 99.6 101
Phenanthrene ≥ 99.5 125
Diclofop-methyl 99.1 133
DDT 98.7 144
Determination of retention time
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System: Agilent Technologies 1200 Series, incorporating autosampler and workstation
Detector type :Ultra-violet (UV)
Column: XSelect HSS Cyano, 5µm (150 x 4.6 mm id)
Column temperature: 30 ºC
Mobile phase : Methanol: [pH 4 (citrate) buffer solution*, adjusted to pH 5.5 with 1M sodium hydroxide] (55:45 v/v)
pH of the buffer solution: 5.5
Flow-rate: 1.0 mL/min
Injection volume: 10 µL
UV detector wavelength: dead time and reference standards: 210 nm
sample: 590 nm - Key result
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 5.5
- Temp.:
- 30 °C
- Details on results (HPLC method):
- Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10 Koc values for the reference standards are shown in the two following tables:
Dead time Retention time (mins) Mean retention time (mins)
Injection 1 Injection 2
Formamide 1.953 1.948 1.951
Standard Retention time (mins) Mean retention time (mins) Capacity factor (k') Log10 k' Log10 Koc
Injection 1 Injection 2
Acetanilide 2.663 2.668 2.665 0.366 -0.436 1.25
Phenol 2.536 2.536 2.536 0.300 -0.523 1.32
Atrazine 3.703 3.707 3.705 0.899 -0.046 1.81
Isoproturon 3.955 3.955 3.955 1.027 0.012 1.86
Triadimenol 5.282 5.282 5.282 1.707 0.232 2.40
Linuron 5.394 5.398 5.396 1.766 0.247 2.59
Naphthalene 4.679 4.684 4.682 1.400 0.146 2.75
Endosulfan-diol 6.579 6.579 6.579 2.372 0.375 3.02
Fenthion 8.042 8.052 8.047 3.125 0.495 3.31
Endosulfan 11.297 11.322 11.310 4.797 0.681 4.09
Diclofop-methyl 12.391 12.400 12.396 5.354 0.729 4.20
Phenanthrene 8.776 8.776 8.776 3.498 0.544 4.09
DDT 24.383 24.383 24.376 11.494 1.061 5.63 - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test item at pH 5.5 has been determined to be greater than 4.27E+5, log10 Koc greater than 5.63.
- Executive summary:
The determination of adsorption coeffcient of the test substance was carried out using the HPLC screening method, designed to be compatible with EU Method C.19 and OECD Guideline 121, in compliance with GLP. 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 adsorption coefficient (Koc) of the test item at pH 5.5 has been determined to be greater than 4.27E+5, log10 Koc greater than 5.63. These values indicate that the test item will be immobile at pH 5.5.
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- This study was conducted between 04 April 2016 and 23 January 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))
- Version / remarks:
- EC No. 440/2008 30 May 2008
- 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))
- Version / remarks:
- 22 January 2001
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other:
- Specific details on test material used for the study:
- Identification: FAT 92504/C TE
Appearance/Physical state: Blue solid
Batch: BOP 01-15
Purity: 86.4 %
Expiry date: 18 November 2020
Storage conditions: Approximately 4 °C, in the dark - Radiolabelling:
- no
- Test temperature:
- 30 ”C
- Details on study design: HPLC method:
- Performance of the Test
Preparation of sample solution
Test item (0.1001 g) was diluted to 100 mL with methanol to give a concentration of 1.0 g/L.
Preparation of dead time solution
The dead time was determined by measuring the retention time of formamide (purity*: 99.94 %, 624 mg/L solution in mobile phase).
Preparation of reference standard solutions
Solutions of reference standards (see following table) were prepared in methanol.
Standard Purity (%)* Concentration (mg/L)
Acetanilide 99+ 120
Phenol 99.9 143
Atrazine 99.1 107
Isoproturon > 98.0 163
Triadimenol 98.0 106
Linuron 99.7 100
Naphthalene 99+ 114
Endosulfan-diol 99.9 160
Fenthion 97.9 152
-Endosulfan 99.6 101
Phenanthrene ≥ 99.5 125
Diclofop-methyl 99.1 133
DDT 98.7 144
Determination of retention time
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System: Agilent Technologies 1200 Series, incorporating autosampler and workstation
Detector type: Ultra-violet (UV)
Column: XSelect HSS Cyano, 5µm (150 x 4.6 mm id)
Column temperature: 30 ºC
Mobile phase : Methanol: [pH 7 (phosphate buffer solution*, (55:45 v/v)
pH of the buffer solution: 7.2
Flow-rate: 1.0 mL/min
Injection volume: 10 µL
UV detector wavelength: dead time and reference standards: 210 nm
sample: 590 nm
* Specification: 3 mM disodium hydrogen orthophosphate, 2 mM potassium dihydrogen orthophosphate, 2 mM sodium chloride - Key result
- Type:
- log Koc
- Value:
- > 3.91 - ca. 5.63 dimensionless
- pH:
- 7
- Temp.:
- 30 °C
- Details on results (HPLC method):
- Calibration
The retention times of the dead time and the retention times, capacity factors (k') and log10 Koc values for the reference standards are shown in the two following tables:
Dead time Retention time (mins) Mean retention time (mins)
Injection 1 Injection 2
Formamide 1.948 1.948 1.948
Standard Retention time (mins) Mean retention time (mins) Capacity factor (k') Log10 k' Log10 Koc
Injection 1 Injection 2
Acetanilide 2.634 2.638 2.636 0.353 -0.452 1.25
Phenol 2.507 2.507 2.507 0.287 -0.542 1.32
Atrazine 3.654 3.649 3.652 0.874 -0.058 1.81
Isoproturon 3.912 3.916 3.914 1.009 0.004 1.86
Triadimenol 5.165 5.165 5.165 1.651 0.218 2.40
Linuron 5.258 5.258 5.258 1.698 0.230 2.59
Naphthalene 4.606 4.611 4.609 1.365 0.135 2.75
Endosulfan-diol 6.293 6.293 6.293 2.229 0.348 3.02
Fenthion 7.760 7.760 7.760 2.983 0.475 3.31
-Endosulfan 10.826 10.821 10.824 4.555 0.658 4.09
Diclofop-methyl 11.827 11.827 11.827 5.070 0.705 4.20
Phenanthrene 8.503 8.508 8.506 3.365 0.527 4.09
DDT 22.672 22.707 22.690 10.645 1.027 5.63 - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test item at pH 7 has been determined to be in the range 8.03+E3 to greater than 4.27E+5, log10 Koc in the range 3.91 to greater than 5.63.
- Executive summary:
The adsorption coefficient of FAT 92504/C TE has been determined to be greater than 4.27 x 105, log10 Koc greater than 5.63, at pH 5.5, and in the range 8.03 x 103 to greater than 4.27 x 105, log10 Koc in the range 3.91 to greater than 5.63, at pH 7, using the HPLC screening method, 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. These values indicate that the test item will be immobile.
Referenceopen allclose all
Adsorption Coefficient
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 log10 Koc | Adsorption coefficient | % by area normalization |
| 1 | 1 | 32.881 | >11.494 | >1.06 | >5.63 | >5.63 | >4.21 x 105 | 48 |
| 2 | 33.120 | >11.494 | >1.06 | >5.63 | ||||
| 2 | 1 | 42.532 | >11.494 | >1.06 | >5.63 | >5.63 | >4.21 x 105 | 52 |
| 2 | 42.750 | >11.494 | >1.06 | >5.63 |
Overall log10 Koc: greater than 5.63
Adsorption coefficient: greater than 4.27 x 105
Adsorption Coefficient
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 log10 Koc | Adsorption coefficient | % by area normalization |
| 1 | 1 | 9.184 | 3.71 | 5.70 | 3.90 | 3.91 | 8.03 x 103 | 50 |
| 2 | 9.242 | 3.74 | 5.73 | 3.91 | ||||
| 2 | 1 | 12.979 |
5.66 |
7.53 |
4.45 |
4.46 |
2.85 x 104 |
3 |
|
2 |
13.090 |
5.72 |
7.57 |
4.46 |
|
|
|
| 3 | 1 | 32.5047 | 15.7 | 1.20 | >5.63 | >5.63 | >4.27 x 105 | 47 |
| 2 | 32.532 | 15.7 | 1.20 | >5.63 |
Overall log10 Koc: In the range 3.91 to greater than 5.63
Adsorption coefficient: In the range 8.03 x 103 to greater than 4.27 x 105
Description of key information
The determination of adsorption coeffcient of the test substance was carried out using the HPLC screening method, designed to be compatible with EU Method C.19 and OECD Guideline 121, in compliance with GLP. 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 estimated (ACD/Labs I-Lab 2.0) pKa’s of approximately 5.2 and 10.4 (where the two OH groups are opposite each other, and approximately 4.3 and 10.3 (where the two OH groups are adjacent to each other), it was considered appropriate to perform testing at pH 5.5 and pH 7. The adsorption coefficient (Koc) of the test item at pH 7 has been determined to be in the range 8.03 x 103to greater than 4.27 x 105, log10 Koc in the range 3.91 to greater than 5.63. These values indicate that the test item will be immobile at pH 7. The adsorption coefficient (Koc) of the test item at pH 5.5 has been determined to be greater than 4.27x 105, log10 Koc greater than 5.63. These values indicate that the test item will be immobile at pH 5.5.
[LogKoc: 5.63]
Key value for chemical safety assessment
- Koc at 20 °C:
- 42 700
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
